(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide

C22H25N3O2 — CID 95725760

IUPAC(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CNCCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21(24-18-11-12-18)19-15-23-13-14-25(19)22(27)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20,23H,11-15H2,(H,24,26)/t19-/m0/s1
InChIKeyNEZCAOORHSGSEA-IBGZPJMESA-N
MW363.46 g/mol
LogP1.90
Rot. Bonds5

About (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide

(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide (PubChem CID 95725760) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
PubChem CID95725760
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CNCCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21(24-18-11-12-18)19-15-23-13-14-25(19)22(27)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20,23H,11-15H2,(H,24,26)/t19-/m0/s1
InChIKeyNEZCAOORHSGSEA-IBGZPJMESA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 56902915
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60948630
(2S)-N-cyclopropyl-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 95721031
(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide
CID 95730037
(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
CID 95722133
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
CID 155052755
2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone
CID 155948017
1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide
CID 83149686
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95724941
(2R)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide (CID 95725760) is (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide is O=C(NC1CC1)[C@@H]1CNCCN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide?
The InChIKey is NEZCAOORHSGSEA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(24-18-11-12-18)19-15-23-13-14-25(19)22(27)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20,23H,11-15H2,(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide?
(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 95725760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).