2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide

C30H35N3O2 — CID 93291002

IUPAC2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESCC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C30H35N3O2/c1-3-26(24-14-8-5-9-15-24)29(34)32-25-18-20-33(21-19-25)28-17-11-10-16-27(28)30(35)31-22(2)23-12-6-4-7-13-23/h4-17,22,25-26H,3,18-21H2,1-2H3,(H,31,35)(H,32,34)/t22-,26+/m1/s1
InChIKeyIVSMEWVVMQLXSN-GJZUVCINSA-N
MW469.63 g/mol
LogP5.46
Rot. Bonds8

About 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide

2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 93291002) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID93291002
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESCC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C30H35N3O2/c1-3-26(24-14-8-5-9-15-24)29(34)32-25-18-20-33(21-19-25)28-17-11-10-16-27(28)30(35)31-22(2)23-12-6-4-7-13-23/h4-17,22,25-26H,3,18-21H2,1-2H3,(H,31,35)(H,32,34)/t22-,26+/m1/s1
InChIKeyIVSMEWVVMQLXSN-GJZUVCINSA-N
XLogP5.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
N-(cyclohexylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324127
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-(furan-2-ylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324043
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
(2S)-N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-2-phenylbutanamide
CID 93291110
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide (CID 93291002) is 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide is CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is IVSMEWVVMQLXSN-GJZUVCINSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-3-26(24-14-8-5-9-15-24)29(34)32-25-18-20-33(21-19-25)28-17-11-10-16-27(28)30(35)31-22(2)23-12-6-4-7-13-23/h4-17,22,25-26H,3,18-21H2,1-2H3,(H,31,35)(H,32,34)/t22-,26+/m1/s1.
What are the key properties of 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 93291002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).