1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride

C20H31ClN4O2 — CID 120557905

IUPAC1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-15-13-21-12-9-17(15)23-18(25)20(10-5-6-11-20)24-19(26)22-14-16-7-3-2-4-8-16;/h2-4,7-8,15,17,21H,5-6,9-14H2,1H3,(H,23,25)(H2,22,24,26);1H
InChIKeyDDTCZMKCWUANQB-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.33
Rot. Bonds5

About 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride

1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 120557905) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID120557905
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC Name1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-15-13-21-12-9-17(15)23-18(25)20(10-5-6-11-20)24-19(26)22-14-16-7-3-2-4-8-16;/h2-4,7-8,15,17,21H,5-6,9-14H2,1H3,(H,23,25)(H2,22,24,26);1H
InChIKeyDDTCZMKCWUANQB-UHFFFAOYSA-N
XLogP2.33
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
benzyl N-[1-[(3-hydroxypiperidin-4-yl)carbamoyl]cyclohexyl]carbamate;hydrochloride
CID 69314997
1-(benzylcarbamoylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 120944373
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride (CID 120557905) is 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1.Cl.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is DDTCZMKCWUANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c1-15-13-21-12-9-17(15)23-18(25)20(10-5-6-11-20)24-19(26)22-14-16-7-3-2-4-8-16;/h2-4,7-8,15,17,21H,5-6,9-14H2,1H3,(H,23,25)(H2,22,24,26);1H.
What are the key properties of 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120557905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).