5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one

C16H26N4O — CID 104684308

IUPAC5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC(CCCN)C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C16H26N4O/c1-14(3-2-6-17)16(21)20-11-9-19(10-12-20)13-15-4-7-18-8-5-15/h4-5,7-8,14H,2-3,6,9-13,17H2,1H3
InChIKeyHQGQCRLFCJSJBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.10
Rot. Bonds6

About 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one

5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 104684308) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID104684308
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC(CCCN)C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C16H26N4O/c1-14(3-2-6-17)16(21)20-11-9-19(10-12-20)13-15-4-7-18-8-5-15/h4-5,7-8,14H,2-3,6,9-13,17H2,1H3
InChIKeyHQGQCRLFCJSJBN-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684302
2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239
(2S)-2-methylsulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 94027968
3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide
CID 60938311
2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55606778
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820
[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 112764706
1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one
CID 95302662
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
CID 113440928
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one (CID 104684308) is 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one is CC(CCCN)C(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is HQGQCRLFCJSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14(3-2-6-17)16(21)20-11-9-19(10-12-20)13-15-4-7-18-8-5-15/h4-5,7-8,14H,2-3,6,9-13,17H2,1H3.
What are the key properties of 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one?
5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 104684308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).