N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide

C32H33N3O2 — CID 162161470

IUPACN-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)CC1CCNCC1)c1ccccc1C1=NCC(c2ccccc2)=C1
InChIInChI=1S/C32H33N3O2/c36-31(20-24-15-17-33-18-16-24)30(19-23-9-3-1-4-10-23)35-32(37)28-14-8-7-13-27(28)29-21-26(22-34-29)25-11-5-2-6-12-25/h1-14,21,24,30,33H,15-20,22H2,(H,35,37)/t30-/m0/s1
InChIKeyZMNPOWMIHQAIJF-PMERELPUSA-N
MW491.64 g/mol
LogP4.87
Rot. Bonds9

About N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide

N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide (PubChem CID 162161470) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
PubChem CID162161470
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)CC1CCNCC1)c1ccccc1C1=NCC(c2ccccc2)=C1
InChIInChI=1S/C32H33N3O2/c36-31(20-24-15-17-33-18-16-24)30(19-23-9-3-1-4-10-23)35-32(37)28-14-8-7-13-27(28)29-21-26(22-34-29)25-11-5-2-6-12-25/h1-14,21,24,30,33H,15-20,22H2,(H,35,37)/t30-/m0/s1
InChIKeyZMNPOWMIHQAIJF-PMERELPUSA-N
XLogP4.87
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide
CID 159838875
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoic acid
CID 4908821
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R,3S)-4-hydroxy-3-methoxy-1-pyrazol-1-ylbutan-2-yl]benzamide
CID 157376329
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
(2S)-3-phenyl-2-(piperazin-1-ylamino)propanoic acid
CID 69080253
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide (CID 162161470) is N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide is O=C(N[C@@H](Cc1ccccc1)C(=O)CC1CCNCC1)c1ccccc1C1=NCC(c2ccccc2)=C1.
What is the InChIKey of N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
The InChIKey is ZMNPOWMIHQAIJF-PMERELPUSA-N. The full InChI is InChI=1S/C32H33N3O2/c36-31(20-24-15-17-33-18-16-24)30(19-23-9-3-1-4-10-23)35-32(37)28-14-8-7-13-27(28)29-21-26(22-34-29)25-11-5-2-6-12-25/h1-14,21,24,30,33H,15-20,22H2,(H,35,37)/t30-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide?
N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide has a molecular weight of 491.64 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenyl-4-piperidin-4-ylbutan-2-yl]-2-(3-phenyl-2H-pyrrol-5-yl)benzamide is sourced from PubChem (CID 162161470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).