[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone

C15H21N3O2 — CID 39374438

IUPAC[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(O)(CNC2CC2)CC1
InChIInChI=1S/C15H21N3O2/c19-14(12-2-1-7-16-10-12)18-8-5-15(20,6-9-18)11-17-13-3-4-13/h1-2,7,10,13,17,20H,3-6,8-9,11H2
InChIKeyLNPGXPWIITZYMO-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.80
Rot. Bonds4

About [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone

[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 39374438) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID39374438
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(O)(CNC2CC2)CC1
InChIInChI=1S/C15H21N3O2/c19-14(12-2-1-7-16-10-12)18-8-5-15(20,6-9-18)11-17-13-3-4-13/h1-2,7,10,13,17,20H,3-6,8-9,11H2
InChIKeyLNPGXPWIITZYMO-UHFFFAOYSA-N
XLogP0.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108998
(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 142181513
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622

Frequently Asked Questions

What is the IUPAC name of [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone (CID 39374438) is [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(O)(CNC2CC2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LNPGXPWIITZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(12-2-1-7-16-10-12)18-8-5-15(20,6-9-18)11-17-13-3-4-13/h1-2,7,10,13,17,20H,3-6,8-9,11H2.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone?
[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 39374438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).