4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H26ClN3O2 — CID 119452392

IUPAC4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(14-3-1-2-4-14)20-11-13-5-7-15(8-6-13)18(23)21-16-9-10-19-12-16;/h5-8,14,16,19H,1-4,9-12H2,(H,20,22)(H,21,23);1H
InChIKeyHFSPWEQKQGORER-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.01
Rot. Bonds5

About 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119452392) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119452392
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(14-3-1-2-4-14)20-11-13-5-7-15(8-6-13)18(23)21-16-9-10-19-12-16;/h5-8,14,16,19H,1-4,9-12H2,(H,20,22)(H,21,23);1H
InChIKeyHFSPWEQKQGORER-UHFFFAOYSA-N
XLogP2.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552829
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119452392) is 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is HFSPWEQKQGORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(14-3-1-2-4-14)20-11-13-5-7-15(8-6-13)18(23)21-16-9-10-19-12-16;/h5-8,14,16,19H,1-4,9-12H2,(H,20,22)(H,21,23);1H.
What are the key properties of 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119452392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).