[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C14H19ClN4O2 — CID 83970308

IUPAC[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESNc1cc(Cl)cnc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H19ClN4O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h8-9,12H,1-7,16H2
InChIKeyHEKKCCUCLKVYAR-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.14
Rot. Bonds2

About [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 83970308) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID83970308
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESNc1cc(Cl)cnc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H19ClN4O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h8-9,12H,1-7,16H2
InChIKeyHEKKCCUCLKVYAR-UHFFFAOYSA-N
XLogP1.14
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171992775
4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
CID 129143800
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 83970308) is [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is Nc1cc(Cl)cnc1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is HEKKCCUCLKVYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-10-8-11(16)13(17-9-10)18-3-5-19(6-4-18)14(20)12-2-1-7-21-12/h8-9,12H,1-7,16H2.
What are the key properties of [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 310.79 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 83970308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).