[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone

C17H22ClNO — CID 97023604

IUPAC[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H22ClNO/c1-13-4-3-10-19(11-7-13)16(20)17(8-9-17)14-5-2-6-15(18)12-14/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m1/s1
InChIKeyYODWLAZJGFTJLS-CYBMUJFWSA-N
MW291.82 g/mol
LogP4.02
Rot. Bonds2

About [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone

[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone (PubChem CID 97023604) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
PubChem CID97023604
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H22ClNO/c1-13-4-3-10-19(11-7-13)16(20)17(8-9-17)14-5-2-6-15(18)12-14/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m1/s1
InChIKeyYODWLAZJGFTJLS-CYBMUJFWSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813617
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone (CID 97023604) is [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone is C[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone?
The InChIKey is YODWLAZJGFTJLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-13-4-3-10-19(11-7-13)16(20)17(8-9-17)14-5-2-6-15(18)12-14/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m1/s1.
What are the key properties of [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone?
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone has a molecular weight of 291.82 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone is sourced from PubChem (CID 97023604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).