4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide

C19H30N4O2 — CID 86912616

IUPAC4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-16(2)21-18(24)15-22-11-13-23(14-12-22)19(25)20-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyZSLSHSMZVWLQCW-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.47
Rot. Bonds7

About 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide

4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 86912616) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID86912616
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-16(2)21-18(24)15-22-11-13-23(14-12-22)19(25)20-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyZSLSHSMZVWLQCW-UHFFFAOYSA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
CID 55909232
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
tert-butyl 4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazine-1-carboxylate
CID 34196422
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 86912616) is 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide is CC(C)NC(=O)CN1CCN(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is ZSLSHSMZVWLQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16(2)21-18(24)15-22-11-13-23(14-12-22)19(25)20-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 86912616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).