N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide

C18H27N3O2 — CID 119577162

IUPACN-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCNC(C)C1
InChIInChI=1S/C18H27N3O2/c1-3-7-16(18(23)21-11-10-19-14(2)13-21)20-17(22)12-15-8-5-4-6-9-15/h4-6,8-9,14,16,19H,3,7,10-13H2,1-2H3,(H,20,22)
InChIKeyBUZUVLFDXNXFJA-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.33
Rot. Bonds6

About N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide

N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide (PubChem CID 119577162) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
PubChem CID119577162
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCNC(C)C1
InChIInChI=1S/C18H27N3O2/c1-3-7-16(18(23)21-11-10-19-14(2)13-21)20-17(22)12-15-8-5-4-6-9-15/h4-6,8-9,14,16,19H,3,7,10-13H2,1-2H3,(H,20,22)
InChIKeyBUZUVLFDXNXFJA-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638
N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119539209
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
N-[(2S)-1-oxo-1-(1,4-thiazepan-4-yl)pentan-2-yl]-2-phenylacetamide
CID 95171633
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
CID 119579782
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119662177
(3aS,6aR)-2-[2-[(2-phenylacetyl)amino]pentanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682160
2-methyl-1-(3-methylpiperazin-1-yl)-4-phenoxybutan-1-one;hydrochloride
CID 119580316
N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
CID 42703671
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide (CID 119577162) is N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide is CCCC(NC(=O)Cc1ccccc1)C(=O)N1CCNC(C)C1.
What is the InChIKey of N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide?
The InChIKey is BUZUVLFDXNXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-7-16(18(23)21-11-10-19-14(2)13-21)20-17(22)12-15-8-5-4-6-9-15/h4-6,8-9,14,16,19H,3,7,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide?
N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 119577162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).