3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea

C23H30N4O2 — CID 163535138

IUPAC3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea
SMILESNC(=O)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)CCN1C1CC1
InChIInChI=1S/C23H30N4O2/c24-23(29)25-12-3-6-21-22(28)26(14-15-27(21)20-9-10-20)13-11-17-7-8-18-4-1-2-5-19(18)16-17/h1-2,4-5,7-8,16,20-21H,3,6,9-15H2,(H3,24,25,29)/t21-/m0/s1
InChIKeyDWHMJKLSLRQBEY-NRFANRHFSA-N
MW394.52 g/mol
LogP2.51
Rot. Bonds8

About 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea

3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea (PubChem CID 163535138) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea.

Molecular Properties

Compound Name3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea
PubChem CID163535138
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea
SMILESNC(=O)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)CCN1C1CC1
InChIInChI=1S/C23H30N4O2/c24-23(29)25-12-3-6-21-22(28)26(14-15-27(21)20-9-10-20)13-11-17-7-8-18-4-1-2-5-19(18)16-17/h1-2,4-5,7-8,16,20-21H,3,6,9-15H2,(H3,24,25,29)/t21-/m0/s1
InChIKeyDWHMJKLSLRQBEY-NRFANRHFSA-N
XLogP2.51
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.51
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

2-[(2S)-1-methyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]ethylurea
CID 59693731
methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
CID 168694190
2-[3-[(3R,6S,9aS)-6-[4-(diaminomethylideneamino)butyl]-8-(2-naphthalen-2-ylethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-3-yl]propyl]guanidine
CID 134148939
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
CID 95303171
(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 126425758
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709400
(3S)-3-(4-aminobutyl)-4-ethyl-1-(2-phenylethyl)piperazin-2-one
CID 142213060
1-decyl-3-(2-naphthalen-2-ylethyl)-2H-benzo[f]benzimidazole-4,9-dione
CID 123724544
S-[1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706074
(2S)-2-amino-N-[(1R)-1-[(3S,5R)-3-[1-(diaminomethylideneamino)propyl]-1-(2-naphthalen-2-ylethyl)-2-oxo-1,4-diazepan-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 68788533

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea?
The IUPAC name of 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea (CID 163535138) is 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea.
What is the SMILES notation for 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea?
The canonical SMILES for 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea is NC(=O)NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)CCN1C1CC1.
What is the InChIKey of 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea?
The InChIKey is DWHMJKLSLRQBEY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N4O2/c24-23(29)25-12-3-6-21-22(28)26(14-15-27(21)20-9-10-20)13-11-17-7-8-18-4-1-2-5-19(18)16-17/h1-2,4-5,7-8,16,20-21H,3,6,9-15H2,(H3,24,25,29)/t21-/m0/s1.
What are the key properties of 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea?
3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea has a molecular weight of 394.52 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-cyclopropyl-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-2-yl]propylurea is sourced from PubChem (CID 163535138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).