3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one

C19H27N3O3 — CID 134021042

IUPAC3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cn1
InChIInChI=1S/C19H27N3O3/c1-25-17-8-7-16(14-20-17)19(24)22-12-10-21(11-13-22)18(23)9-6-15-4-2-3-5-15/h7-8,14-15H,2-6,9-13H2,1H3
InChIKeyOXLJRXYNVDOUSC-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.35
Rot. Bonds5

About 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 134021042) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID134021042
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cn1
InChIInChI=1S/C19H27N3O3/c1-25-17-8-7-16(14-20-17)19(24)22-12-10-21(11-13-22)18(23)9-6-15-4-2-3-5-15/h7-8,14-15H,2-6,9-13H2,1H3
InChIKeyOXLJRXYNVDOUSC-UHFFFAOYSA-N
XLogP2.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
1-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134702337
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one (CID 134021042) is 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one is COc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cn1.
What is the InChIKey of 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is OXLJRXYNVDOUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-17-8-7-16(14-20-17)19(24)22-12-10-21(11-13-22)18(23)9-6-15-4-2-3-5-15/h7-8,14-15H,2-6,9-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 345.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 134021042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).