1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide

C15H23N3O2 — CID 115940404

IUPAC1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
SMILESCCC(O)c1ccc(N2CCC(C(=O)NC)CC2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-14(19)13-5-4-12(10-17-13)18-8-6-11(7-9-18)15(20)16-2/h4-5,10-11,14,19H,3,6-9H2,1-2H3,(H,16,20)
InChIKeyLDKZYLPFDZGKCH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds4

About 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide

1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide (PubChem CID 115940404) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
PubChem CID115940404
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
SMILESCCC(O)c1ccc(N2CCC(C(=O)NC)CC2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-14(19)13-5-4-12(10-17-13)18-8-6-11(7-9-18)15(20)16-2/h4-5,10-11,14,19H,3,6-9H2,1-2H3,(H,16,20)
InChIKeyLDKZYLPFDZGKCH-UHFFFAOYSA-N
XLogP1.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
(1S)-1-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]propan-1-ol
CID 103938404
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide (CID 115940404) is 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide is CCC(O)c1ccc(N2CCC(C(=O)NC)CC2)cn1.
What is the InChIKey of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LDKZYLPFDZGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-14(19)13-5-4-12(10-17-13)18-8-6-11(7-9-18)15(20)16-2/h4-5,10-11,14,19H,3,6-9H2,1-2H3,(H,16,20).
What are the key properties of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide?
1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 115940404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).