cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide

C18H24ClN3O2 — CID 95055116

IUPACcis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(23)22-9-7-21(8-10-22)6-5-20-18(24)17-12-16(17)14-3-2-4-15(19)11-14/h2-4,11,16-17H,5-10,12H2,1H3,(H,20,24)/t16-,17-/m0/s1
InChIKeySSGDPGNWNCKVMJ-IRXDYDNUSA-N
MW349.86 g/mol
LogP1.72
Rot. Bonds5

About cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 95055116) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID95055116
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Namecis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClN3O2/c1-13(23)22-9-7-21(8-10-22)6-5-20-18(24)17-12-16(17)14-3-2-4-15(19)11-14/h2-4,11,16-17H,5-10,12H2,1H3,(H,20,24)/t16-,17-/m0/s1
InChIKeySSGDPGNWNCKVMJ-IRXDYDNUSA-N
XLogP1.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 86873659
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119506444
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292771
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564729
trans-(1S,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564727
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564726
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779940
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453
cis-(1R,2S)-2-(3-chlorophenyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 97077113

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 95055116) is cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is CC(=O)N1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1.
What is the InChIKey of cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is SSGDPGNWNCKVMJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13(23)22-9-7-21(8-10-22)6-5-20-18(24)17-12-16(17)14-3-2-4-15(19)11-14/h2-4,11,16-17H,5-10,12H2,1H3,(H,20,24)/t16-,17-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95055116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).