1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide

C22H29N3O3 — CID 131914801

IUPAC1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCC3)C2)cc1)NC1CC1
InChIInChI=1S/C22H29N3O3/c26-20(23-18-10-11-18)13-15-6-8-19(9-7-15)24-21(27)17-5-2-12-25(14-17)22(28)16-3-1-4-16/h6-9,16-18H,1-5,10-14H2,(H,23,26)(H,24,27)
InChIKeyONONKGIXEGHPRA-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.48
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide

1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide (PubChem CID 131914801) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
PubChem CID131914801
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCC3)C2)cc1)NC1CC1
InChIInChI=1S/C22H29N3O3/c26-20(23-18-10-11-18)13-15-6-8-19(9-7-15)24-21(27)17-5-2-12-25(14-17)22(28)16-3-1-4-16/h6-9,16-18H,1-5,10-14H2,(H,23,26)(H,24,27)
InChIKeyONONKGIXEGHPRA-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclobutanecarbonyl)piperidine-3-carboxamide
CID 44825625
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide (CID 131914801) is 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide is O=C(Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCC3)C2)cc1)NC1CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is ONONKGIXEGHPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-20(23-18-10-11-18)13-15-6-8-19(9-7-15)24-21(27)17-5-2-12-25(14-17)22(28)16-3-1-4-16/h6-9,16-18H,1-5,10-14H2,(H,23,26)(H,24,27).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 131914801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).