[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C22H31ClN2O — CID 119623522

IUPAC[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCC(NCC2CC2)CC1)C1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C22H31ClN2O/c23-19-5-3-4-18(14-19)15-22(10-1-2-11-22)21(26)25-12-8-20(9-13-25)24-16-17-6-7-17/h3-5,14,17,20,24H,1-2,6-13,15-16H2
InChIKeyQXDAYIHQVPTSSC-UHFFFAOYSA-N
MW374.96 g/mol
LogP4.43
Rot. Bonds6

About [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 119623522) has the molecular formula C22H31ClN2O and a molecular weight of 374.96 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID119623522
Molecular FormulaC22H31ClN2O
Molecular Weight374.96 g/mol
Exact Mass374.21
IUPAC Name[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCC(NCC2CC2)CC1)C1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C22H31ClN2O/c23-19-5-3-4-18(14-19)15-22(10-1-2-11-22)21(26)25-12-8-20(9-13-25)24-16-17-6-7-17/h3-5,14,17,20,24H,1-2,6-13,15-16H2
InChIKeyQXDAYIHQVPTSSC-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 119411301
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone;hydrochloride
CID 119663102
[3-[(3-chlorophenyl)methoxy]phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621851
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 120807217
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119622558
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 167810316
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623852
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621879
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 119623522) is [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(N1CCC(NCC2CC2)CC1)C1(Cc2cccc(Cl)c2)CCCC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is QXDAYIHQVPTSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O/c23-19-5-3-4-18(14-19)15-22(10-1-2-11-22)21(26)25-12-8-20(9-13-25)24-16-17-6-7-17/h3-5,14,17,20,24H,1-2,6-13,15-16H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 374.96 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119623522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).