1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one

C19H34N2O2 — CID 140912317

IUPAC1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(=O)N1CCC(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-15(22)20-9-5-16(6-10-20)13-17-7-11-21(12-8-17)18(23)14-19(2,3)4/h16-17H,5-14H2,1-4H3
InChIKeyYPPHYAMANUXXRD-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.31
Rot. Bonds3

About 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 140912317) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID140912317
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(=O)N1CCC(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-15(22)20-9-5-16(6-10-20)13-17-7-11-21(12-8-17)18(23)14-19(2,3)4/h16-17H,5-14H2,1-4H3
InChIKeyYPPHYAMANUXXRD-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-[4-[2-(1-Methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11576426
1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]tridecan-1-one;hydrochloride
CID 11704360
Cyclobutyl-[9-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484542
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014
1,1'-(1,10-Decanediyl)bis(N,N-diethyl-3-piperidinecarboxamide)
CID 121331
Cambridge id 6578494
CID 883902
[1-(Cyclohexylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 3148936
[1-(Cyclohexylmethyl)piperidin-4-yl](4-methylpiperidin-1-yl)methanone
CID 3148941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 140912317) is 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(=O)N1CCC(CC2CCN(C(=O)CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is YPPHYAMANUXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15(22)20-9-5-16(6-10-20)13-17-7-11-21(12-8-17)18(23)14-19(2,3)4/h16-17H,5-14H2,1-4H3.
What are the key properties of 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 322.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 140912317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).