(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

C36H63N3O4 — CID 143888450

IUPAC(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
SMILESC=C/C(=C\C(C)=C/CCN(C(=O)[C@@H]1CCCNC1)C1CC1)CCCOC.CC.CCCOC.Cc1ccc(=O)n(C)c1C
InChIInChI=1S/C22H36N2O2.C8H11NO.C4H10O.C2H6/c1-4-19(9-7-15-26-3)16-18(2)8-6-14-24(21-11-12-21)22(25)20-10-5-13-23-17-20;1-6-4-5-8(10)9(3)7(6)2;1-3-4-5-2;1-2/h4,8,16,20-21,23H,1,5-7,9-15,17H2,2-3H3;4-5H,1-3H3;3-4H2,1-2H3;1-2H3/b18-8-,19-16+;;;/t20-;;;/m1.../s1
InChIKeyCVWHWVGJQWVPSQ-JWRRGJJASA-N
MW601.92 g/mol
LogP6.92
Rot. Bonds13

About (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

(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 (PubChem CID 143888450) has the molecular formula C36H63N3O4 and a molecular weight of 601.92 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143888450
Molecular FormulaC36H63N3O4
Molecular Weight601.92 g/mol
Exact Mass601.48
IUPAC Name(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
SMILESC=C/C(=C\C(C)=C/CCN(C(=O)[C@@H]1CCCNC1)C1CC1)CCCOC.CC.CCCOC.Cc1ccc(=O)n(C)c1C
InChIInChI=1S/C22H36N2O2.C8H11NO.C4H10O.C2H6/c1-4-19(9-7-15-26-3)16-18(2)8-6-14-24(21-11-12-21)22(25)20-10-5-13-23-17-20;1-6-4-5-8(10)9(3)7(6)2;1-3-4-5-2;1-2/h4,8,16,20-21,23H,1,5-7,9-15,17H2,2-3H3;4-5H,1-3H3;3-4H2,1-2H3;1-2H3/b18-8-,19-16+;;;/t20-;;;/m1.../s1
InChIKeyCVWHWVGJQWVPSQ-JWRRGJJASA-N
XLogP6.92
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.92
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

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-[(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-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
acetylene;(3R)-N-[(E,2E)-4-bromo-2-ethylidenepent-3-enyl]-N-cyclopropylpiperidine-3-carboxamide;1-methoxybutane;1-methylpyridin-2-one
CID 143888476
(3R)-N-cyclopropyl-N-[[(1E)-3-(3-ethoxypropyl)-6-(2-methoxyethoxy)cycloocta-1,3,4,7-tetraen-1-yl]methyl]piperidine-3-carboxamide;1,4-dimethylcyclohepta[b]pyridin-2-one;ethane
CID 143896064
(3R,4S)-N-[(Z)-2-[(E)-2-amino-1-chloroethenyl]-7-methoxy-4-methylhept-2-enyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 163991112
N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide
CID 55972035
(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide
CID 143888451

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C(=C\C(C)=C/CCN(C(=O)[C@@H]1CCCNC1)C1CC1)CCCOC.CC.CCCOC.Cc1ccc(=O)n(C)c1C.
What is the InChIKey of (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?
The InChIKey is CVWHWVGJQWVPSQ-JWRRGJJASA-N. The full InChI is InChI=1S/C22H36N2O2.C8H11NO.C4H10O.C2H6/c1-4-19(9-7-15-26-3)16-18(2)8-6-14-24(21-11-12-21)22(25)20-10-5-13-23-17-20;1-6-4-5-8(10)9(3)7(6)2;1-3-4-5-2;1-2/h4,8,16,20-21,23H,1,5-7,9-15,17H2,2-3H3;4-5H,1-3H3;3-4H2,1-2H3;1-2H3/b18-8-,19-16+;;;/t20-;;;/m1.../s1.
What are the key properties of (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?
(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 has a molecular weight of 601.92 g/mol, XLogP of 6.92, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143888450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).