[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C16H23N3O3 — CID 96500930

IUPAC[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1
InChIInChI=1S/C16H23N3O3/c1-22-15-6-5-12(11-17-15)16(21)19-9-7-18(8-10-19)13-3-2-4-14(13)20/h5-6,11,13-14,20H,2-4,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyDKKCRAVFAZQSIE-UONOGXRCSA-N
MW305.38 g/mol
LogP0.76
Rot. Bonds3

About [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 96500930) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID96500930
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1
InChIInChI=1S/C16H23N3O3/c1-22-15-6-5-12(11-17-15)16(21)19-9-7-18(8-10-19)13-3-2-4-14(13)20/h5-6,11,13-14,20H,2-4,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyDKKCRAVFAZQSIE-UONOGXRCSA-N
XLogP0.76
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 96500930) is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1.
What is the InChIKey of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is DKKCRAVFAZQSIE-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-15-6-5-12(11-17-15)16(21)19-9-7-18(8-10-19)13-3-2-4-14(13)20/h5-6,11,13-14,20H,2-4,7-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 305.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 96500930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).