(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide

C23H28N4O3 — CID 9304747

IUPAC(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-16(17-8-3-2-4-9-17)25-23(30)19-11-5-6-12-20(19)26-21(28)15-27-13-7-10-18(14-27)22(24)29/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3,(H2,24,29)(H,25,30)(H,26,28)/t16-,18-/m0/s1
InChIKeyTTZJIQFEQNYKJU-WMZOPIPTSA-N
MW408.50 g/mol
LogP2.31
Rot. Bonds7

About (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide

(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide (PubChem CID 9304747) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
PubChem CID9304747
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-16(17-8-3-2-4-9-17)25-23(30)19-11-5-6-12-20(19)26-21(28)15-27-13-7-10-18(14-27)22(24)29/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3,(H2,24,29)(H,25,30)(H,26,28)/t16-,18-/m0/s1
InChIKeyTTZJIQFEQNYKJU-WMZOPIPTSA-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

Analyze (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530568
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530563
2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 51724685
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
(3S)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9305169
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide (CID 9304747) is (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide is C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1)c1ccccc1.
What is the InChIKey of (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide?
The InChIKey is TTZJIQFEQNYKJU-WMZOPIPTSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(17-8-3-2-4-9-17)25-23(30)19-11-5-6-12-20(19)26-21(28)15-27-13-7-10-18(14-27)22(24)29/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3,(H2,24,29)(H,25,30)(H,26,28)/t16-,18-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide?
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-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 (3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9304747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).