[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone

C20H28ClNO — CID 143751466

IUPAC[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone
SMILESC[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C20H28ClNO/c1-14-5-4-6-17(14)19(23)22-12-11-18(20(2,3)13-22)15-7-9-16(21)10-8-15/h7-10,14,17-18H,4-6,11-13H2,1-3H3/t14-,17+,18?/m1/s1
InChIKeyLFCVIIVDSQZURM-NAVMLSPISA-N
MW333.90 g/mol
LogP5.12
Rot. Bonds2

About [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone

[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone (PubChem CID 143751466) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone
PubChem CID143751466
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone
SMILESC[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C20H28ClNO/c1-14-5-4-6-17(14)19(23)22-12-11-18(20(2,3)13-22)15-7-9-16(21)10-8-15/h7-10,14,17-18H,4-6,11-13H2,1-3H3/t14-,17+,18?/m1/s1
InChIKeyLFCVIIVDSQZURM-NAVMLSPISA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.90
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R)-2-aminocyclohexyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]methanone
CID 71038122
[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone
CID 143751367
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]formamide
CID 58457296
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424
N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide
CID 143751322
[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 69066640
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-3-methylcyclopentane-1-carboxamide
CID 77409246
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785
(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-[(2-cyclohex-2-en-1-yl-2-pyrrolidin-1-ylethyl)amino]-3-methylbutan-1-one
CID 58457763
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(propan-2-ylcarbamoylamino)propanamide
CID 143524895
[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 75497061
4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine
CID 143751446

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone (CID 143751466) is [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone is C[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone?
The InChIKey is LFCVIIVDSQZURM-NAVMLSPISA-N. The full InChI is InChI=1S/C20H28ClNO/c1-14-5-4-6-17(14)19(23)22-12-11-18(20(2,3)13-22)15-7-9-16(21)10-8-15/h7-10,14,17-18H,4-6,11-13H2,1-3H3/t14-,17+,18?/m1/s1.
What are the key properties of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone?
[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone has a molecular weight of 333.90 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone is sourced from PubChem (CID 143751466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).