N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

C20H31N5O2 — CID 53370981

IUPACN-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C20H31N5O2/c1-15(2)18(19(26)22-16-7-3-4-8-16)23-20(27)25-13-11-24(12-14-25)17-9-5-6-10-21-17/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyWSKAUJLOZRANTE-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 53370981) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID53370981
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C20H31N5O2/c1-15(2)18(19(26)22-16-7-3-4-8-16)23-20(27)25-13-11-24(12-14-25)17-9-5-6-10-21-17/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyWSKAUJLOZRANTE-UHFFFAOYSA-N
XLogP2.00
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-[(2S)-1-[(3-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 132992780
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368538
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108871232

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 53370981) is N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is CC(C)C(NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1CCCC1.
What is the InChIKey of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is WSKAUJLOZRANTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15(2)18(19(26)22-16-7-3-4-8-16)23-20(27)25-13-11-24(12-14-25)17-9-5-6-10-21-17/h5-6,9-10,15-16,18H,3-4,7-8,11-14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 53370981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).