(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide

C18H26ClN3O — CID 94669702

IUPAC(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O/c1-14(18(23)20-16-6-7-16)22-12-10-21(11-13-22)9-8-15-4-2-3-5-17(15)19/h2-5,14,16H,6-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeySNVRPCYLEBLIHW-AWEZNQCLSA-N
MW335.88 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide

(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 94669702) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID94669702
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O/c1-14(18(23)20-16-6-7-16)22-12-10-21(11-13-22)9-8-15-4-2-3-5-17(15)19/h2-5,14,16H,6-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeySNVRPCYLEBLIHW-AWEZNQCLSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 43039514
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 94669702) is (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide is C[C@@H](C(=O)NC1CC1)N1CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is SNVRPCYLEBLIHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-14(18(23)20-16-6-7-16)22-12-10-21(11-13-22)9-8-15-4-2-3-5-17(15)19/h2-5,14,16H,6-13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 335.88 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 94669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).