[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone

C14H16ClN3O2 — CID 81225735

IUPAC[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnccc1Cl)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H16ClN3O2/c15-12-3-4-16-9-11(12)14(20)18-7-5-17(6-8-18)13(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyBZYBKDOSMFBBNY-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.43
Rot. Bonds2

About [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 81225735) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID81225735
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1cnccc1Cl)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H16ClN3O2/c15-12-3-4-16-9-11(12)14(20)18-7-5-17(6-8-18)13(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyBZYBKDOSMFBBNY-UHFFFAOYSA-N
XLogP1.43
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81226182
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
2-[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 114036479
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
CID 81226318
(4-chloro-3-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 81232347
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone (CID 81225735) is [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone is O=C(c1cnccc1Cl)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is BZYBKDOSMFBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-3-4-16-9-11(12)14(20)18-7-5-17(6-8-18)13(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 293.75 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 81225735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).