N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride

C16H23ClN2O — CID 172654364

IUPACN-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NCC1CC1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C16H22N2O.ClH/c19-16(18-10-12-3-4-12)14-7-5-13(6-8-14)15-2-1-9-17-11-15;/h5-8,12,15,17H,1-4,9-11H2,(H,18,19);1H
InChIKeyWAGYTCXLBVFSFR-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.72
Rot. Bonds4

About N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride

N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 172654364) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
PubChem CID172654364
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NCC1CC1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C16H22N2O.ClH/c19-16(18-10-12-3-4-12)14-7-5-13(6-8-14)15-2-1-9-17-11-15;/h5-8,12,15,17H,1-4,9-11H2,(H,18,19);1H
InChIKeyWAGYTCXLBVFSFR-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride (CID 172654364) is N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride is Cl.O=C(NCC1CC1)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is WAGYTCXLBVFSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c19-16(18-10-12-3-4-12)14-7-5-13(6-8-14)15-2-1-9-17-11-15;/h5-8,12,15,17H,1-4,9-11H2,(H,18,19);1H.
What are the key properties of N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride?
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 172654364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).