N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide

C25H37N3O3 — CID 46020492

IUPACN-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCCC(C)NC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O3/c1-4-18(3)26-24(30)22(27-23(29)20-11-9-17(2)10-12-20)19-13-15-28(16-14-19)25(31)21-7-5-6-8-21/h9-12,18-19,21-22H,4-8,13-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyQUTJAVGAVHUGAS-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide

N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 46020492) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
PubChem CID46020492
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCCC(C)NC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O3/c1-4-18(3)26-24(30)22(27-23(29)20-11-9-17(2)10-12-20)19-13-15-28(16-14-19)25(31)21-7-5-6-8-21/h9-12,18-19,21-22H,4-8,13-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyQUTJAVGAVHUGAS-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199805
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 93199800
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199807
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199826
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 42840475
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 93199786
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199777
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197313
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198236
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 93199492

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide (CID 46020492) is N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide is CCC(C)NC(=O)C(NC(=O)c1ccc(C)cc1)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is QUTJAVGAVHUGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-4-18(3)26-24(30)22(27-23(29)20-11-9-17(2)10-12-20)19-13-15-28(16-14-19)25(31)21-7-5-6-8-21/h9-12,18-19,21-22H,4-8,13-16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide?
N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 427.59 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46020492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).