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

C21H26N2O3 — CID 17465957

IUPACN-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N2O3/c1-26-15-5-12-22-20(24)17-10-13-23(14-11-17)21(25)19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-9,17H,5,10-15H2,1H3,(H,22,24)
InChIKeyQLSMEZAMZYRIEQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.84
Rot. Bonds6

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

N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 17465957) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID17465957
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N2O3/c1-26-15-5-12-22-20(24)17-10-13-23(14-11-17)21(25)19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-9,17H,5,10-15H2,1H3,(H,22,24)
InChIKeyQLSMEZAMZYRIEQ-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974223
N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 17465957) is N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is QLSMEZAMZYRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-15-5-12-22-20(24)17-10-13-23(14-11-17)21(25)19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-9,17H,5,10-15H2,1H3,(H,22,24).
What are the key properties of N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17465957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).