N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide

C18H23ClN2O — CID 94121152

IUPACN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(N[C@H]1CCN2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O/c19-14-5-3-4-13(12-14)18(8-9-18)17(22)20-15-7-11-21-10-2-1-6-16(15)21/h3-5,12,15-16H,1-2,6-11H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyUWOJASUKCIJFRO-JKSUJKDBSA-N
MW318.85 g/mol
LogP3.11
Rot. Bonds3

About N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 94121152) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID94121152
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(N[C@H]1CCN2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN2O/c19-14-5-3-4-13(12-14)18(8-9-18)17(22)20-15-7-11-21-10-2-1-6-16(15)21/h3-5,12,15-16H,1-2,6-11H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyUWOJASUKCIJFRO-JKSUJKDBSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
CID 65465504
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 56568898
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 129396439
tert-butyl 4-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]piperidine-1-carboxylate
CID 52731080

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 94121152) is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide is O=C(N[C@H]1CCN2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UWOJASUKCIJFRO-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-14-5-3-4-13(12-14)18(8-9-18)17(22)20-15-7-11-21-10-2-1-6-16(15)21/h3-5,12,15-16H,1-2,6-11H2,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 318.85 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94121152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).