(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide

C20H29N3O2 — CID 95284457

IUPAC(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(C2(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)CCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-15-6-4-8-17(12-15)20(9-2-3-10-20)14-22-18(24)16-7-5-11-23(13-16)19(21)25/h4,6,8,12,16H,2-3,5,7,9-11,13-14H2,1H3,(H2,21,25)(H,22,24)/t16-/m1/s1
InChIKeyXZBYNLNWPBHTCA-MRXNPFEDSA-N
MW343.47 g/mol
LogP2.71
Rot. Bonds4

About (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 95284457) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID95284457
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(C2(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)CCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-15-6-4-8-17(12-15)20(9-2-3-10-20)14-22-18(24)16-7-5-11-23(13-16)19(21)25/h4,6,8,12,16H,2-3,5,7,9-11,13-14H2,1H3,(H2,21,25)(H,22,24)/t16-/m1/s1
InChIKeyXZBYNLNWPBHTCA-MRXNPFEDSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 71982060
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120788388
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 97145050
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
(3S)-3-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1,3-dicarboxamide
CID 51924999
(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 129487146

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide (CID 95284457) is (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide is Cc1cccc(C2(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)CCCC2)c1.
What is the InChIKey of (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is XZBYNLNWPBHTCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-6-4-8-17(12-15)20(9-2-3-10-20)14-22-18(24)16-7-5-11-23(13-16)19(21)25/h4,6,8,12,16H,2-3,5,7,9-11,13-14H2,1H3,(H2,21,25)(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95284457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).