1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide

C18H27N3O2 — CID 167938292

IUPAC1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnccc1CN(C)C(=O)C1(C2(O)CCNCC2)CCC1
InChIInChI=1S/C18H27N3O2/c1-14-12-20-9-4-15(14)13-21(2)16(22)17(5-3-6-17)18(23)7-10-19-11-8-18/h4,9,12,19,23H,3,5-8,10-11,13H2,1-2H3
InChIKeyFZQAGWUWNHAPNM-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide

1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide (PubChem CID 167938292) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide
PubChem CID167938292
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnccc1CN(C)C(=O)C1(C2(O)CCNCC2)CCC1
InChIInChI=1S/C18H27N3O2/c1-14-12-20-9-4-15(14)13-21(2)16(22)17(5-3-6-17)18(23)7-10-19-11-8-18/h4,9,12,19,23H,3,5-8,10-11,13H2,1-2H3
InChIKeyFZQAGWUWNHAPNM-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97203512
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126452767
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 119681705
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
CID 91764923
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 91828409
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
N-ethyl-N-methyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699647
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
N,N-dimethyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699849
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide (CID 167938292) is 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide is Cc1cnccc1CN(C)C(=O)C1(C2(O)CCNCC2)CCC1.
What is the InChIKey of 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is FZQAGWUWNHAPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-12-20-9-4-15(14)13-21(2)16(22)17(5-3-6-17)18(23)7-10-19-11-8-18/h4,9,12,19,23H,3,5-8,10-11,13H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide?
1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 167938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).