1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide

C23H28N4O3 — CID 8530563

IUPAC1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-16(17-7-3-2-4-8-17)25-23(30)19-9-5-6-10-20(19)26-21(28)15-27-13-11-18(12-14-27)22(24)29/h2-10,16,18H,11-15H2,1H3,(H2,24,29)(H,25,30)(H,26,28)/t16-/m0/s1
InChIKeyRNOQEYWIZSLTDQ-INIZCTEOSA-N
MW408.50 g/mol
LogP2.31
Rot. Bonds7

About 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide

1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide (PubChem CID 8530563) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
PubChem CID8530563
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-16(17-7-3-2-4-8-17)25-23(30)19-9-5-6-10-20(19)26-21(28)15-27-13-11-18(12-14-27)22(24)29/h2-10,16,18H,11-15H2,1H3,(H2,24,29)(H,25,30)(H,26,28)/t16-/m0/s1
InChIKeyRNOQEYWIZSLTDQ-INIZCTEOSA-N
XLogP2.31
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530568
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 51724685
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 124823995
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide (CID 8530563) is 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide is C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide?
The InChIKey is RNOQEYWIZSLTDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(17-7-3-2-4-8-17)25-23(30)19-9-5-6-10-20(19)26-21(28)15-27-13-11-18(12-14-27)22(24)29/h2-10,16,18H,11-15H2,1H3,(H2,24,29)(H,25,30)(H,26,28)/t16-/m0/s1.
What are the key properties of 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8530563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).