N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C31H37N3O2 — CID 55725408

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C1
InChIInChI=1S/C31H37N3O2/c1-23-8-7-17-33(21-23)22-27-11-3-2-10-26(27)20-32-30(35)25-15-18-34(19-16-25)31(36)29-14-6-12-24-9-4-5-13-28(24)29/h2-6,9-14,23,25H,7-8,15-22H2,1H3,(H,32,35)
InChIKeyXJJHBKHXALNFCL-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.24
Rot. Bonds6

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55725408) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55725408
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C1
InChIInChI=1S/C31H37N3O2/c1-23-8-7-17-33(21-23)22-27-11-3-2-10-26(27)20-32-30(35)25-15-18-34(19-16-25)31(36)29-14-6-12-24-9-4-5-13-28(24)29/h2-6,9-14,23,25H,7-8,15-22H2,1H3,(H,32,35)
InChIKeyXJJHBKHXALNFCL-UHFFFAOYSA-N
XLogP5.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46474002
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55714231
N-[[2-(methanesulfonamido)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55723581
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
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-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124695969

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55725408) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CC1CCCN(Cc2ccccc2CNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is XJJHBKHXALNFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-23-8-7-17-33(21-23)22-27-11-3-2-10-26(27)20-32-30(35)25-15-18-34(19-16-25)31(36)29-14-6-12-24-9-4-5-13-28(24)29/h2-6,9-14,23,25H,7-8,15-22H2,1H3,(H,32,35).
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 483.66 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55725408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).