1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C19H29ClN4O3 — CID 120944373

IUPAC1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)NC1(C(=O)NCC2CNCC2O)CCCC1
InChIInChI=1S/C19H28N4O3.ClH/c24-16-13-20-11-15(16)12-21-17(25)19(8-4-5-9-19)23-18(26)22-10-14-6-2-1-3-7-14;/h1-3,6-7,15-16,20,24H,4-5,8-13H2,(H,21,25)(H2,22,23,26);1H
InChIKeyCQDKSWJSPHKMBR-UHFFFAOYSA-N
MW396.92 g/mol
LogP0.92
Rot. Bonds6

About 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 120944373) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID120944373
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)NC1(C(=O)NCC2CNCC2O)CCCC1
InChIInChI=1S/C19H28N4O3.ClH/c24-16-13-20-11-15(16)12-21-17(25)19(8-4-5-9-19)23-18(26)22-10-14-6-2-1-3-7-14;/h1-3,6-7,15-16,20,24H,4-5,8-13H2,(H,21,25)(H2,22,23,26);1H
InChIKeyCQDKSWJSPHKMBR-UHFFFAOYSA-N
XLogP0.92
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 120947067
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120557905
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
1-benzyl-3-[1-[(1H-pyrrole-2-carbonylamino)carbamoyl]cyclopentyl]urea
CID 78844424
[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl N-benzylcarbamate
CID 91035324
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 120944373) is 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)NC1(C(=O)NCC2CNCC2O)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is CQDKSWJSPHKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c24-16-13-20-11-15(16)12-21-17(25)19(8-4-5-9-19)23-18(26)22-10-14-6-2-1-3-7-14;/h1-3,6-7,15-16,20,24H,4-5,8-13H2,(H,21,25)(H2,22,23,26);1H.
What are the key properties of 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 0.92, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120944373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).