1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone

C15H23N3O — CID 102540084

IUPAC1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCCCNc1ncccc1C1CCCCN1C(C)=O
InChIInChI=1S/C15H23N3O/c1-3-9-16-15-13(7-6-10-17-15)14-8-4-5-11-18(14)12(2)19/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,16,17)
InChIKeyBRMLGPGDYOXALQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone

1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 102540084) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID102540084
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCCCNc1ncccc1C1CCCCN1C(C)=O
InChIInChI=1S/C15H23N3O/c1-3-9-16-15-13(7-6-10-17-15)14-8-4-5-11-18(14)12(2)19/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,16,17)
InChIKeyBRMLGPGDYOXALQ-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
CID 102540271
tert-butyl 2-[2-(2-methylpropylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540145
2-[2-(butylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102540252
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540684
3-piperidin-2-yl-N-propylpyridin-2-amine
CID 102540073
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone (CID 102540084) is 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone is CCCNc1ncccc1C1CCCCN1C(C)=O.
What is the InChIKey of 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is BRMLGPGDYOXALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-9-16-15-13(7-6-10-17-15)14-8-4-5-11-18(14)12(2)19/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone?
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 102540084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).