(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide

C22H27N3O — CID 95721803

IUPAC(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C22H27N3O/c26-22(24-19-11-12-19)21-16-25(14-13-23-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,23H,11-16H2,(H,24,26)/t21-/m0/s1
InChIKeyNSONFZQDMYYWBN-NRFANRHFSA-N
MW349.48 g/mol
LogP2.37
Rot. Bonds6

About (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide

(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide (PubChem CID 95721803) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide
PubChem CID95721803
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C22H27N3O/c26-22(24-19-11-12-19)21-16-25(14-13-23-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,23H,11-16H2,(H,24,26)/t21-/m0/s1
InChIKeyNSONFZQDMYYWBN-NRFANRHFSA-N
XLogP2.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95721592
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 95804018
(2S)-N-cyclopropyl-4-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methyl]piperazine-2-carboxamide
CID 95722154
N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 56909325
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316
1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 69233352
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide (CID 95721803) is (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide is O=C(NC1CC1)[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide?
The InChIKey is NSONFZQDMYYWBN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(24-19-11-12-19)21-16-25(14-13-23-21)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,23H,11-16H2,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide?
(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95721803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).