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

C14H15ClN4OS — CID 62276861

IUPAC[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESNc1cnccc1N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H15ClN4OS/c15-13-2-1-12(21-13)14(20)19-7-5-18(6-8-19)11-3-4-17-9-10(11)16/h1-4,9H,5-8,16H2
InChIKeyAIHRDAUHCKRJNS-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.34
Rot. Bonds2

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

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 62276861) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID62276861
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESNc1cnccc1N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H15ClN4OS/c15-13-2-1-12(21-13)14(20)19-7-5-18(6-8-19)11-3-4-17-9-10(11)16/h1-4,9H,5-8,16H2
InChIKeyAIHRDAUHCKRJNS-UHFFFAOYSA-N
XLogP2.34
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone (CID 62276861) is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone is Nc1cnccc1N1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is AIHRDAUHCKRJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-13-2-1-12(21-13)14(20)19-7-5-18(6-8-19)11-3-4-17-9-10(11)16/h1-4,9H,5-8,16H2.
What are the key properties of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 322.82 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 62276861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).