1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide

C23H30N6O2 — CID 55967731

IUPAC1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NC2CCCN(c3ncccn3)C2)CCCC1
InChIInChI=1S/C23H30N6O2/c30-20(27-19-10-6-15-29(17-19)21-24-13-7-14-25-21)23(11-4-5-12-23)28-22(31)26-16-18-8-2-1-3-9-18/h1-3,7-9,13-14,19H,4-6,10-12,15-17H2,(H,27,30)(H2,26,28,31)
InChIKeySVMJGUREOKFNJX-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.37
Rot. Bonds6

About 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide

1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide (PubChem CID 55967731) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
PubChem CID55967731
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)NC2CCCN(c3ncccn3)C2)CCCC1
InChIInChI=1S/C23H30N6O2/c30-20(27-19-10-6-15-29(17-19)21-24-13-7-14-25-21)23(11-4-5-12-23)28-22(31)26-16-18-8-2-1-3-9-18/h1-3,7-9,13-14,19H,4-6,10-12,15-17H2,(H,27,30)(H2,26,28,31)
InChIKeySVMJGUREOKFNJX-UHFFFAOYSA-N
XLogP2.37
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55768855
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 136525855
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
1-[(5-ethylthiophen-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084671
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide (CID 55967731) is 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide is O=C(NCc1ccccc1)NC1(C(=O)NC2CCCN(c3ncccn3)C2)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide?
The InChIKey is SVMJGUREOKFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c30-20(27-19-10-6-15-29(17-19)21-24-13-7-14-25-21)23(11-4-5-12-23)28-22(31)26-16-18-8-2-1-3-9-18/h1-3,7-9,13-14,19H,4-6,10-12,15-17H2,(H,27,30)(H2,26,28,31).
What are the key properties of 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55967731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).