N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide

C23H24Cl2N4O — CID 25164952

IUPACN-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESN#Cc1ccc(N2CCN(CCNC(=O)C3CC3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C23H24Cl2N4O/c24-19-6-4-17(5-7-19)22-15-28(10-9-27-23(30)18-2-3-18)11-12-29(22)21-8-1-16(14-26)13-20(21)25/h1,4-8,13,18,22H,2-3,9-12,15H2,(H,27,30)/t22-/m0/s1
InChIKeyDNRJDSCPSRWGOF-QFIPXVFZSA-N
MW443.38 g/mol
LogP4.25
Rot. Bonds6

About N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 25164952) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID25164952
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC NameN-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESN#Cc1ccc(N2CCN(CCNC(=O)C3CC3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C23H24Cl2N4O/c24-19-6-4-17(5-7-19)22-15-28(10-9-27-23(30)18-2-3-18)11-12-29(22)21-8-1-16(14-26)13-20(21)25/h1,4-8,13,18,22H,2-3,9-12,15H2,(H,27,30)/t22-/m0/s1
InChIKeyDNRJDSCPSRWGOF-QFIPXVFZSA-N
XLogP4.25
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-4-[(2S)-2-aminopropyl]-2-(4-chlorophenyl)piperazin-1-yl]-3-chlorobenzonitrile;N-[(2S)-1-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]propan-2-yl]cyclopropanecarboxamide;cyclopropanecarbonyl chloride
CID 161187793
3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]piperazin-1-yl]benzonitrile
CID 123230514
4-[(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropan-2-yl]benzonitrile
CID 123914891
3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-(4-methylpentanoyl)piperazin-1-yl]benzonitrile
CID 59261663
3-chloro-4-[2-(4-chlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazin-1-yl]benzonitrile
CID 123712747
4-[(2R)-4-[(2S)-2-(2-amino-4-pyridinyl)-2-hydroxypropyl]-2-(4-chlorophenyl)piperazin-1-yl]-3-chlorobenzonitrile
CID 123363283
tert-butyl N-[4-[(2S)-1-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropan-2-yl]-2-pyridinyl]carbamate
CID 123458848
6-[[(3R)-4-(2-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 123474206
4-[2-[(3R)-4-[2-chloro-4-(2-hydroxyethoxy)phenyl]-3-(4-chlorophenyl)piperazin-1-yl]-1-nitrosoethyl]benzonitrile
CID 90775874
4-[2-[(3R)-4-[2-chloro-4-(2-hydroxypropoxy)phenyl]-3-(4-chlorophenyl)piperazin-1-yl]ethyl]benzonitrile
CID 71021341
3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxypropyl]piperazin-1-yl]benzonitrile
CID 123896933
4-[(2S)-1-[(3R)-4-[2-chloro-4-(methoxymethyl)phenyl]-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropan-2-yl]benzonitrile
CID 123226384

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide (CID 25164952) is N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide is N#Cc1ccc(N2CCN(CCNC(=O)C3CC3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is DNRJDSCPSRWGOF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c24-19-6-4-17(5-7-19)22-15-28(10-9-27-23(30)18-2-3-18)11-12-29(22)21-8-1-16(14-26)13-20(21)25/h1,4-8,13,18,22H,2-3,9-12,15H2,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 443.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 25164952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).