(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide

C26H34N4O2 — CID 95788889

IUPAC(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1
InChIInChI=1S/C26H34N4O2/c1-20-8-6-7-15-29(20)25(31)23-11-13-24(14-12-23)27-26(32)30-17-16-28(18-21(30)2)19-22-9-4-3-5-10-22/h3-5,9-14,20-21H,6-8,15-19H2,1-2H3,(H,27,32)/t20-,21+/m1/s1
InChIKeyNXYNKVNHFOSILY-RTWAWAEBSA-N
MW434.58 g/mol
LogP4.44
Rot. Bonds4

About (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide

(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide (PubChem CID 95788889) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
PubChem CID95788889
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1
InChIInChI=1S/C26H34N4O2/c1-20-8-6-7-15-29(20)25(31)23-11-13-24(14-12-23)27-26(32)30-17-16-28(18-21(30)2)19-22-9-4-3-5-10-22/h3-5,9-14,20-21H,6-8,15-19H2,1-2H3,(H,27,32)/t20-,21+/m1/s1
InChIKeyNXYNKVNHFOSILY-RTWAWAEBSA-N
XLogP4.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxo-N-phenylacetamide
CID 75467745
(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 166231411
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
6-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 136580423

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide?
The IUPAC name of (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide (CID 95788889) is (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide is C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1.
What is the InChIKey of (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide?
The InChIKey is NXYNKVNHFOSILY-RTWAWAEBSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-20-8-6-7-15-29(20)25(31)23-11-13-24(14-12-23)27-26(32)30-17-16-28(18-21(30)2)19-22-9-4-3-5-10-22/h3-5,9-14,20-21H,6-8,15-19H2,1-2H3,(H,27,32)/t20-,21+/m1/s1.
What are the key properties of (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide?
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 95788889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).