[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone

C14H21N3O — CID 60590538

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)CN1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-12(2)11-16-6-8-17(9-7-16)14(18)13-4-3-5-15-10-13/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyNMQWWFQWEGXGOO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds3

About [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 60590538) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID60590538
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)CN1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-12(2)11-16-6-8-17(9-7-16)14(18)13-4-3-5-15-10-13/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyNMQWWFQWEGXGOO-UHFFFAOYSA-N
XLogP1.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 125462334
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
CID 75507541
[4-[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 126768545
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
CID 136519238

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 60590538) is [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone is CC(C)CN1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is NMQWWFQWEGXGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(2)11-16-6-8-17(9-7-16)14(18)13-4-3-5-15-10-13/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 60590538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).