cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone

C19H25NO3 — CID 110394678

IUPACcyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C19H25NO3/c1-23-17-10-8-14(9-11-17)18(21)16-7-4-12-20(13-16)19(22)15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3
InChIKeyOOXOMFXPAKMGNO-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.31
Rot. Bonds4

About cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone

cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone (PubChem CID 110394678) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
PubChem CID110394678
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namecyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C19H25NO3/c1-23-17-10-8-14(9-11-17)18(21)16-7-4-12-20(13-16)19(22)15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3
InChIKeyOOXOMFXPAKMGNO-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
CID 110394676
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone (CID 110394678) is cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone is COc1ccc(C(=O)C2CCCN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone?
The InChIKey is OOXOMFXPAKMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-23-17-10-8-14(9-11-17)18(21)16-7-4-12-20(13-16)19(22)15-5-2-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3.
What are the key properties of cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone?
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone has a molecular weight of 315.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110394678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).