N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride

C20H31ClN4O2 — CID 119600623

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C20H30N4O2.ClH/c21-13-16-9-6-10-17(16)23-18(25)20(11-4-5-12-20)24-19(26)22-14-15-7-2-1-3-8-15;/h1-3,7-8,16-17H,4-6,9-14,21H2,(H,23,25)(H2,22,24,26);1H
InChIKeyXGICZKXRZUBMGM-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119600623) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119600623
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C20H30N4O2.ClH/c21-13-16-9-6-10-17(16)23-18(25)20(11-4-5-12-20)24-19(26)22-14-15-7-2-1-3-8-15;/h1-3,7-8,16-17H,4-6,9-14,21H2,(H,23,25)(H2,22,24,26);1H
InChIKeyXGICZKXRZUBMGM-UHFFFAOYSA-N
XLogP2.46
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120557905
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
CID 119602028
1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
1-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-3-[2-(aminomethyl)cyclopentyl]urea
CID 167802021
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55967731
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride (CID 119600623) is N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XGICZKXRZUBMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c21-13-16-9-6-10-17(16)23-18(25)20(11-4-5-12-20)24-19(26)22-14-15-7-2-1-3-8-15;/h1-3,7-8,16-17H,4-6,9-14,21H2,(H,23,25)(H2,22,24,26);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119600623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).