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

C31H37N3O2 — CID 46474002

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)C1
InChIInChI=1S/C31H37N3O2/c1-23-6-5-17-33(21-23)22-25-13-11-24(12-14-25)20-32-30(35)27-15-18-34(19-16-27)31(36)29-10-4-8-26-7-2-3-9-28(26)29/h2-4,7-14,23,27H,5-6,15-22H2,1H3,(H,32,35)
InChIKeyKDFJVLVNSOWGMK-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.24
Rot. Bonds6

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

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 46474002) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID46474002
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)C1
InChIInChI=1S/C31H37N3O2/c1-23-6-5-17-33(21-23)22-25-13-11-24(12-14-25)20-32-30(35)27-15-18-34(19-16-27)31(36)29-10-4-8-26-7-2-3-9-28(26)29/h2-4,7-14,23,27H,5-6,15-22H2,1H3,(H,32,35)
InChIKeyKDFJVLVNSOWGMK-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-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55725408
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
1-[(3-chlorophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917655
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917331
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 46474002) is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is KDFJVLVNSOWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-23-6-5-17-33(21-23)22-25-13-11-24(12-14-25)20-32-30(35)27-15-18-34(19-16-27)31(36)29-10-4-8-26-7-2-3-9-28(26)29/h2-4,7-14,23,27H,5-6,15-22H2,1H3,(H,32,35).
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[[4-[(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-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46474002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).