(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide

C19H27N3O2 — CID 95155016

IUPAC(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C2CCCC2)C1
InChIInChI=1S/C19H27N3O2/c20-18(23)16-9-5-11-22(13-16)12-15-8-3-4-10-17(15)21-19(24)14-6-1-2-7-14/h3-4,8,10,14,16H,1-2,5-7,9,11-13H2,(H2,20,23)(H,21,24)/t16-/m1/s1
InChIKeySJFYYUMZZDZING-MRXNPFEDSA-N
MW329.44 g/mol
LogP2.51
Rot. Bonds5

About (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 95155016) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
PubChem CID95155016
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C2CCCC2)C1
InChIInChI=1S/C19H27N3O2/c20-18(23)16-9-5-11-22(13-16)12-15-8-3-4-10-17(15)21-19(24)14-6-1-2-7-14/h3-4,8,10,14,16H,1-2,5-7,9,11-13H2,(H2,20,23)(H,21,24)/t16-/m1/s1
InChIKeySJFYYUMZZDZING-MRXNPFEDSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(but-2-ynoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 166403364
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 47090669
(3R)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 129434666
(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 100707846
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide (CID 95155016) is (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C2CCCC2)C1.
What is the InChIKey of (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SJFYYUMZZDZING-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-18(23)16-9-5-11-22(13-16)12-15-8-3-4-10-17(15)21-19(24)14-6-1-2-7-14/h3-4,8,10,14,16H,1-2,5-7,9,11-13H2,(H2,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95155016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).