3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide

C17H27N5O2 — CID 86910705

IUPAC3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CN1CCN(c2ccccn2)CC1)C(N)=O
InChIInChI=1S/C17H27N5O2/c1-3-13(2)16(17(18)24)20-15(23)12-21-8-10-22(11-9-21)14-6-4-5-7-19-14/h4-7,13,16H,3,8-12H2,1-2H3,(H2,18,24)(H,20,23)
InChIKeyANXLIHCMDAYXKH-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.22
Rot. Bonds7

About 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide

3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide (PubChem CID 86910705) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
PubChem CID86910705
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CN1CCN(c2ccccn2)CC1)C(N)=O
InChIInChI=1S/C17H27N5O2/c1-3-13(2)16(17(18)24)20-15(23)12-21-8-10-22(11-9-21)14-6-4-5-7-19-14/h4-7,13,16H,3,8-12H2,1-2H3,(H2,18,24)(H,20,23)
InChIKeyANXLIHCMDAYXKH-UHFFFAOYSA-N
XLogP0.22
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
methyl (2S)-3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoate
CID 8620452
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119616508
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71991324
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide?
The IUPAC name of 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide (CID 86910705) is 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide.
What is the SMILES notation for 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide?
The canonical SMILES for 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide is CCC(C)C(NC(=O)CN1CCN(c2ccccn2)CC1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide?
The InChIKey is ANXLIHCMDAYXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-13(2)16(17(18)24)20-15(23)12-21-8-10-22(11-9-21)14-6-4-5-7-19-14/h4-7,13,16H,3,8-12H2,1-2H3,(H2,18,24)(H,20,23).
What are the key properties of 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide?
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide has a molecular weight of 333.44 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide is sourced from PubChem (CID 86910705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).