4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide

C25H33N3O2 — CID 41200367

IUPAC4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide
SMILESCCc1ccc([C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-4-19-10-12-20(13-11-19)23(18(2)3)27-25(30)28-16-14-22(15-17-28)26-24(29)21-8-6-5-7-9-21/h5-13,18,22-23H,4,14-17H2,1-3H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeyYUJCDVGGKFMDRM-HSZRJFAPSA-N
MW407.56 g/mol
LogP4.55
Rot. Bonds6

About 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide

4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide (PubChem CID 41200367) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide
PubChem CID41200367
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide
SMILESCCc1ccc([C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-4-19-10-12-20(13-11-19)23(18(2)3)27-25(30)28-16-14-22(15-17-28)26-24(29)21-8-6-5-7-9-21/h5-13,18,22-23H,4,14-17H2,1-3H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeyYUJCDVGGKFMDRM-HSZRJFAPSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 41200370
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
CID 70653799
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218527

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide (CID 41200367) is 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide is CCc1ccc([C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1.
What is the InChIKey of 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide?
The InChIKey is YUJCDVGGKFMDRM-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-19-10-12-20(13-11-19)23(18(2)3)27-25(30)28-16-14-22(15-17-28)26-24(29)21-8-6-5-7-9-21/h5-13,18,22-23H,4,14-17H2,1-3H3,(H,26,29)(H,27,30)/t23-/m1/s1.
What are the key properties of 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide?
4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 41200367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).