2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide

C17H24N4O3 — CID 119074318

IUPAC2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H24N4O3/c1-18-15(22)12-14-16(23)19-10-11-21(14)17(24)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyVNZZYIZWASPMQC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.27
Rot. Bonds6

About 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide

2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 119074318) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID119074318
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCNC(=O)CC1C(=O)NCCN1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H24N4O3/c1-18-15(22)12-14-16(23)19-10-11-21(14)17(24)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyVNZZYIZWASPMQC-UHFFFAOYSA-N
XLogP0.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 119070408
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45224138
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
CID 91768233
tert-butyl (2S)-3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carboxylate
CID 7425634
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
4-[(2-benzyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122021973
2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 42189085
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
3-phenylpropyl 2-[(2R)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083201

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 119074318) is 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide is CNC(=O)CC1C(=O)NCCN1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is VNZZYIZWASPMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-18-15(22)12-14-16(23)19-10-11-21(14)17(24)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide?
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 119074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).