5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

C16H22N2O3 — CID 127944288

IUPAC5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(OCC3CC3)C2)c[nH]1
InChIInChI=1S/C16H22N2O3/c1-11-7-15(19)14(8-17-11)16(20)18-6-2-3-13(9-18)21-10-12-4-5-12/h7-8,12-13H,2-6,9-10H2,1H3,(H,17,19)
InChIKeyHTMOTJHBUSDOCQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds4

About 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 127944288) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID127944288
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC(OCC3CC3)C2)c[nH]1
InChIInChI=1S/C16H22N2O3/c1-11-7-15(19)14(8-17-11)16(20)18-6-2-3-13(9-18)21-10-12-4-5-12/h7-8,12-13H,2-6,9-10H2,1H3,(H,17,19)
InChIKeyHTMOTJHBUSDOCQ-UHFFFAOYSA-N
XLogP1.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 103717650
1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
CID 157038041
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916
2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056346
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717698
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (CID 127944288) is 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCCC(OCC3CC3)C2)c[nH]1.
What is the InChIKey of 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is HTMOTJHBUSDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-15(19)14(8-17-11)16(20)18-6-2-3-13(9-18)21-10-12-4-5-12/h7-8,12-13H,2-6,9-10H2,1H3,(H,17,19).
What are the key properties of 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 290.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 127944288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).