N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide

C27H35N3O4 — CID 55953689

IUPACN-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C27H35N3O4/c1-34-18-6-14-28-25(31)21-12-16-29(17-13-21)26(32)22-9-5-15-30(19-22)27(33)24-11-4-8-20-7-2-3-10-23(20)24/h2-4,7-8,10-11,21-22H,5-6,9,12-19H2,1H3,(H,28,31)
InChIKeySDZVXAKIJIEZSI-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.08
Rot. Bonds7

About N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 55953689) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID55953689
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C27H35N3O4/c1-34-18-6-14-28-25(31)21-12-16-29(17-13-21)26(32)22-9-5-15-30(19-22)27(33)24-11-4-8-20-7-2-3-10-23(20)24/h2-4,7-8,10-11,21-22H,5-6,9,12-19H2,1H3,(H,28,31)
InChIKeySDZVXAKIJIEZSI-UHFFFAOYSA-N
XLogP3.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 52639571
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide (CID 55953689) is N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is SDZVXAKIJIEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-34-18-6-14-28-25(31)21-12-16-29(17-13-21)26(32)22-9-5-15-30(19-22)27(33)24-11-4-8-20-7-2-3-10-23(20)24/h2-4,7-8,10-11,21-22H,5-6,9,12-19H2,1H3,(H,28,31).
What are the key properties of N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55953689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).