(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone

C19H32N4O — CID 174204274

IUPAC(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
SMILESCCCCN1CCN(C(=O)c2cccnc2NCCC(C)C)CC1
InChIInChI=1S/C19H32N4O/c1-4-5-11-22-12-14-23(15-13-22)19(24)17-7-6-9-20-18(17)21-10-8-16(2)3/h6-7,9,16H,4-5,8,10-15H2,1-3H3,(H,20,21)
InChIKeyLYAXWPTUQYINGI-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.10
Rot. Bonds8

About (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone

(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone (PubChem CID 174204274) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
PubChem CID174204274
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
SMILESCCCCN1CCN(C(=O)c2cccnc2NCCC(C)C)CC1
InChIInChI=1S/C19H32N4O/c1-4-5-11-22-12-14-23(15-13-22)19(24)17-7-6-9-20-18(17)21-10-8-16(2)3/h6-7,9,16H,4-5,8,10-15H2,1-3H3,(H,20,21)
InChIKeyLYAXWPTUQYINGI-UHFFFAOYSA-N
XLogP3.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone (CID 174204274) is (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone is CCCCN1CCN(C(=O)c2cccnc2NCCC(C)C)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
The InChIKey is LYAXWPTUQYINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-5-11-22-12-14-23(15-13-22)19(24)17-7-6-9-20-18(17)21-10-8-16(2)3/h6-7,9,16H,4-5,8,10-15H2,1-3H3,(H,20,21).
What are the key properties of (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone has a molecular weight of 332.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 174204274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).