N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C22H22N2O3 — CID 51239969

IUPACN-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H22N2O3/c25-21(23-14-18-9-5-13-27-18)17-8-4-12-24(15-17)22(26)20-11-3-7-16-6-1-2-10-19(16)20/h1-3,5-7,9-11,13,17H,4,8,12,14-15H2,(H,23,25)
InChIKeyKBOFRUVDPPZBTO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.60
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 51239969) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID51239969
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H22N2O3/c25-21(23-14-18-9-5-13-27-18)17-8-4-12-24(15-17)22(26)20-11-3-7-16-6-1-2-10-19(16)20/h1-3,5-7,9-11,13,17H,4,8,12,14-15H2,(H,23,25)
InChIKeyKBOFRUVDPPZBTO-UHFFFAOYSA-N
XLogP3.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55585816
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 51239969) is N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is O=C(NCc1ccco1)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is KBOFRUVDPPZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(23-14-18-9-5-13-27-18)17-8-4-12-24(15-17)22(26)20-11-3-7-16-6-1-2-10-19(16)20/h1-3,5-7,9-11,13,17H,4,8,12,14-15H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51239969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).