(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone

C16H23N3O — CID 57017149

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H23N3O/c20-16(14-5-4-8-17-13-14)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h4-5,8,13,15H,1-3,6-7,9-12H2
InChIKeyPKYLBPCWHKVOLS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.17
Rot. Bonds2

About (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone

(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 57017149) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
PubChem CID57017149
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H23N3O/c20-16(14-5-4-8-17-13-14)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h4-5,8,13,15H,1-3,6-7,9-12H2
InChIKeyPKYLBPCWHKVOLS-UHFFFAOYSA-N
XLogP2.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 72924697
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 138380400
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone (CID 57017149) is (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is PKYLBPCWHKVOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(14-5-4-8-17-13-14)19-11-6-15(7-12-19)18-9-2-1-3-10-18/h4-5,8,13,15H,1-3,6-7,9-12H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone?
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 57017149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).