(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide

C16H23N3O — CID 97040903

IUPAC(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-17-16(20)19-11-10-18(14-8-9-14)12-15(19)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeySAGRWJJOKQHHCE-OAHLLOKOSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds3

About (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide

(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide (PubChem CID 97040903) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
PubChem CID97040903
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-17-16(20)19-11-10-18(14-8-9-14)12-15(19)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeySAGRWJJOKQHHCE-OAHLLOKOSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
CID 90566900
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90566912
4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
CID 90566899
4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide
CID 90566886
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
CID 71801336
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 90566765
2-(4-chlorophenoxy)-1-(4-cyclopropyl-2-phenylpiperazin-1-yl)ethanone
CID 90566753
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357

Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide (CID 97040903) is (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C2CC2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is SAGRWJJOKQHHCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-17-16(20)19-11-10-18(14-8-9-14)12-15(19)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide?
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 97040903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).