(3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C29H41N3O3 — CID 118282148

IUPAC(3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESC=C1/C=C(CCCOC)\C=C/CCCC1N(C(=O)[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1)C1CC1
InChIInChI=1S/C29H41N3O3/c1-21-18-22(9-7-17-35-3)8-5-4-6-10-27(21)32(24-11-12-24)29(34)26-20-30-15-13-25(26)23-14-16-31(2)28(33)19-23/h5,8,14,16,18-19,24-27,30H,1,4,6-7,9-13,15,17,20H2,2-3H3/b8-5-,22-18+/t25-,26+,27?/m1/s1
InChIKeyRZINCVVLSAIWCW-NAQNPHSGSA-N
MW479.67 g/mol
LogP4.09
Rot. Bonds8

About (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

(3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 118282148) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID118282148
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC Name(3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESC=C1/C=C(CCCOC)\C=C/CCCC1N(C(=O)[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1)C1CC1
InChIInChI=1S/C29H41N3O3/c1-21-18-22(9-7-17-35-3)8-5-4-6-10-27(21)32(24-11-12-24)29(34)26-20-30-15-13-25(26)23-14-16-31(2)28(33)19-23/h5,8,14,16,18-19,24-27,30H,1,4,6-7,9-13,15,17,20H2,2-3H3/b8-5-,22-18+/t25-,26+,27?/m1/s1
InChIKeyRZINCVVLSAIWCW-NAQNPHSGSA-N
XLogP4.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282144
1-Cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66895776
N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66895777
N-cyclopropyl-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide
CID 66896760
N-cyclopropyl-1-(3-methoxypropyl)-N-[[(3R,5S)-5-(3-methylbutylcarbamoyl)piperidin-3-yl]methyl]-3a,7a-dihydroindole-3-carboxamide
CID 68095855
CID 89131600
CID 89131600
(3R,4S)-N-[[(3R)-5-acetyl-3-(3-methoxypropyl)cyclohexa-1,5-dien-1-yl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282126
(3R,4S)-N-[(2E,3E,5E,7Z)-4,5-bis(ethenyl)-2-(5-methoxypentylidene)nona-3,5,7-trienyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282128
(3R,4S)-N-[(2Z,4Z)-6-chloro-2-(1-chloroethenyl)-4-(2-methoxyethyl)hexa-2,4-dienyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282131
(3R,4S)-N-[(2Z,4Z)-6-chloro-2-(chloromethyl)-4-(3-methoxypropyl)hepta-2,4,6-trienyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282142
(3R,4S)-N-[[(3aR)-1-(3-acetamidopropyl)-3a,7a-dihydroindol-3-yl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282169
(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide;ethane;1-methoxypropane;1,5,6-trimethylpyridin-2-one
CID 143888450

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 118282148) is (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is C=C1/C=C(CCCOC)\C=C/CCCC1N(C(=O)[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1)C1CC1.
What is the InChIKey of (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is RZINCVVLSAIWCW-NAQNPHSGSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-21-18-22(9-7-17-35-3)8-5-4-6-10-27(21)32(24-11-12-24)29(34)26-20-30-15-13-25(26)23-14-16-31(2)28(33)19-23/h5,8,14,16,18-19,24-27,30H,1,4,6-7,9-13,15,17,20H2,2-3H3/b8-5-,22-18+/t25-,26+,27?/m1/s1.
What are the key properties of (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
(3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-cyclopropyl-N-[(3Z,5Z)-4-(3-methoxypropyl)-2-methylidenecyclonona-3,5-dien-1-yl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 118282148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).