1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone

C21H30N2O2 — CID 176683805

IUPAC1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(CN3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-7-11-22(12-8-16)15-18-9-13-23(14-10-18)21(25)20-5-3-19(4-6-20)17(2)24/h3-6,16,18H,7-15H2,1-2H3
InChIKeyPITKRHFBYHXCTP-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone

1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 176683805) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
PubChem CID176683805
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(CN3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-7-11-22(12-8-16)15-18-9-13-23(14-10-18)21(25)20-5-3-19(4-6-20)17(2)24/h3-6,16,18H,7-15H2,1-2H3
InChIKeyPITKRHFBYHXCTP-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
CID 164629238
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290672
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290673
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone (CID 176683805) is 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCC(CN3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is PITKRHFBYHXCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-7-11-22(12-8-16)15-18-9-13-23(14-10-18)21(25)20-5-3-19(4-6-20)17(2)24/h3-6,16,18H,7-15H2,1-2H3.
What are the key properties of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone?
1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 342.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 176683805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).