[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone

C17H24ClN3O2 — CID 126810332

IUPAC[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCCC1
InChIInChI=1S/C17H24ClN3O2/c1-2-23-17(7-3-4-8-17)16(22)21-12-10-20(11-13-21)15-14(18)6-5-9-19-15/h5-6,9H,2-4,7-8,10-13H2,1H3
InChIKeyTWCVENGKFKAOHB-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.73
Rot. Bonds4

About [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone

[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone (PubChem CID 126810332) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone
PubChem CID126810332
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCCC1
InChIInChI=1S/C17H24ClN3O2/c1-2-23-17(7-3-4-8-17)16(22)21-12-10-20(11-13-21)15-14(18)6-5-9-19-15/h5-6,9H,2-4,7-8,10-13H2,1H3
InChIKeyTWCVENGKFKAOHB-UHFFFAOYSA-N
XLogP2.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 84597263
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
3-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120872757
cis-(1R,3S)-3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065880
[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-pentylcarbamate
CID 69295118
(2S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylbutan-1-one
CID 167772896
(3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55822321
(1-ethoxycyclopropyl)-piperazin-1-ylmethanone
CID 155895636
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-hydroxy-5,5-dimethylhexan-1-one
CID 126804842
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethanone
CID 172880802
4-(3-chloro-2-pyridinyl)-N-[4-(4-hydroxyoxan-4-yl)phenyl]piperazine-1-carboxamide
CID 142110737

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone?
The IUPAC name of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone (CID 126810332) is [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone.
What is the SMILES notation for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone?
The canonical SMILES for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone is CCOC1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCCC1.
What is the InChIKey of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone?
The InChIKey is TWCVENGKFKAOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-23-17(7-3-4-8-17)16(22)21-12-10-20(11-13-21)15-14(18)6-5-9-19-15/h5-6,9H,2-4,7-8,10-13H2,1H3.
What are the key properties of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone?
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone has a molecular weight of 337.85 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone is sourced from PubChem (CID 126810332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).