[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C20H27ClN2O2 — CID 42908642

IUPAC[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C20H27ClN2O2/c1-14-10-15(2)12-23(11-14)20(25)17-4-3-9-22(13-17)19(24)16-5-7-18(21)8-6-16/h5-8,14-15,17H,3-4,9-13H2,1-2H3
InChIKeyHCWUQWCOTAZFJR-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.70
Rot. Bonds2

About [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 42908642) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID42908642
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C20H27ClN2O2/c1-14-10-15(2)12-23(11-14)20(25)17-4-3-9-22(13-17)19(24)16-5-7-18(21)8-6-16/h5-8,14-15,17H,3-4,9-13H2,1-2H3
InChIKeyHCWUQWCOTAZFJR-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 120658106
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120658105
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 32820227
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95052842
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 42908642) is [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is HCWUQWCOTAZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-14-10-15(2)12-23(11-14)20(25)17-4-3-9-22(13-17)19(24)16-5-7-18(21)8-6-16/h5-8,14-15,17H,3-4,9-13H2,1-2H3.
What are the key properties of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 362.90 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 42908642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).