N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

C26H33N3O3 — CID 93199800

IUPACN-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H33N3O3/c1-4-19(3)27-25(31)23(28-24(30)21-12-10-18(2)11-13-21)20-14-16-29(17-15-20)26(32)22-8-6-5-7-9-22/h5-13,19-20,23H,4,14-17H2,1-3H3,(H,27,31)(H,28,30)/t19-,23+/m1/s1
InChIKeyRQLKSRLNBGICKS-XXBNENTESA-N
MW435.57 g/mol
LogP3.56
Rot. Bonds7

About N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 93199800) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID93199800
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H33N3O3/c1-4-19(3)27-25(31)23(28-24(30)21-12-10-18(2)11-13-21)20-14-16-29(17-15-20)26(32)22-8-6-5-7-9-22/h5-13,19-20,23H,4,14-17H2,1-3H3,(H,27,31)(H,28,30)/t19-,23+/m1/s1
InChIKeyRQLKSRLNBGICKS-XXBNENTESA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide with MolForge

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Launch Full Analysis

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-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199826
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197313
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
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-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199454
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198889

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (CID 93199800) is N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is RQLKSRLNBGICKS-XXBNENTESA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-19(3)27-25(31)23(28-24(30)21-12-10-18(2)11-13-21)20-14-16-29(17-15-20)26(32)22-8-6-5-7-9-22/h5-13,19-20,23H,4,14-17H2,1-3H3,(H,27,31)(H,28,30)/t19-,23+/m1/s1.
What are the key properties of N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 435.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 93199800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).