N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C19H28ClN3O2 — CID 119299314

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C1CCNCC1
InChIInChI=1S/C19H27N3O2.ClH/c23-18(16-8-10-20-11-9-16)21-13-14-4-3-7-17(12-14)22-19(24)15-5-1-2-6-15;/h3-4,7,12,15-16,20H,1-2,5-6,8-11,13H2,(H,21,23)(H,22,24);1H
InChIKeyPDNBFGBFZJQIRA-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.85
Rot. Bonds5

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119299314) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119299314
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C1CCNCC1
InChIInChI=1S/C19H27N3O2.ClH/c23-18(16-8-10-20-11-9-16)21-13-14-4-3-7-17(12-14)22-19(24)15-5-1-2-6-15;/h3-4,7,12,15-16,20H,1-2,5-6,8-11,13H2,(H,21,23)(H,22,24);1H
InChIKeyPDNBFGBFZJQIRA-UHFFFAOYSA-N
XLogP2.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119710766
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
N-benzylpiperidine-4-carboxamide
CID 3868064
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120926374
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 97011516

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 119299314) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C1CCNCC1.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is PDNBFGBFZJQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c23-18(16-8-10-20-11-9-16)21-13-14-4-3-7-17(12-14)22-19(24)15-5-1-2-6-15;/h3-4,7,12,15-16,20H,1-2,5-6,8-11,13H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119299314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).