N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride

C19H24ClN3O2 — CID 119559628

IUPACN-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C19H23N3O2.ClH/c23-18(17-8-10-21-13-17)15-3-5-16(6-4-15)19(24)22-11-7-14-2-1-9-20-12-14;/h3-6,8,10,13-14,20-21H,1-2,7,9,11-12H2,(H,22,24);1H
InChIKeyAOWXRKFTPPONQJ-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.79
Rot. Bonds6

About N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride

N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride (PubChem CID 119559628) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
PubChem CID119559628
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C19H23N3O2.ClH/c23-18(17-8-10-21-13-17)15-3-5-16(6-4-15)19(24)22-11-7-14-2-1-9-20-12-14;/h3-6,8,10,13-14,20-21H,1-2,7,9,11-12H2,(H,22,24);1H
InChIKeyAOWXRKFTPPONQJ-UHFFFAOYSA-N
XLogP2.79
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride (CID 119559628) is N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride?
The InChIKey is AOWXRKFTPPONQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c23-18(17-8-10-21-13-17)15-3-5-16(6-4-15)19(24)22-11-7-14-2-1-9-20-12-14;/h3-6,8,10,13-14,20-21H,1-2,7,9,11-12H2,(H,22,24);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride is sourced from PubChem (CID 119559628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).