N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide

C23H33N3O3 — CID 42682685

IUPACN-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCC(C)(C)CC(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)NC2CC2)CC1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)15-19(27)26-13-11-16(12-14-26)20(22(29)24-18-9-10-18)25-21(28)17-7-5-4-6-8-17/h4-8,16,18,20H,9-15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyYVOYBVSPMQSHIX-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide

N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 42682685) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID42682685
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCC(C)(C)CC(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)NC2CC2)CC1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)15-19(27)26-13-11-16(12-14-26)20(22(29)24-18-9-10-18)25-21(28)17-7-5-4-6-8-17/h4-8,16,18,20H,9-15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyYVOYBVSPMQSHIX-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199519
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020351
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199807
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 93199492
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020353
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020155
N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 93199555
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197838
2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197158
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide
CID 46019745

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 42682685) is N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide is CC(C)(C)CC(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)NC2CC2)CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is YVOYBVSPMQSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-23(2,3)15-19(27)26-13-11-16(12-14-26)20(22(29)24-18-9-10-18)25-21(28)17-7-5-4-6-8-17/h4-8,16,18,20H,9-15H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42682685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).