1-butyl-3-(2-ethylpiperidin-1-yl)urea

C12H25N3O — CID 56999818

IUPAC1-butyl-3-(2-ethylpiperidin-1-yl)urea
SMILESCCCCNC(=O)NN1CCCCC1CC
InChIInChI=1S/C12H25N3O/c1-3-5-9-13-12(16)14-15-10-7-6-8-11(15)4-2/h11H,3-10H2,1-2H3,(H2,13,14,16)
InChIKeyPWVXNHYMNURFRW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.27
Rot. Bonds5

About 1-butyl-3-(2-ethylpiperidin-1-yl)urea

1-butyl-3-(2-ethylpiperidin-1-yl)urea (PubChem CID 56999818) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-butyl-3-(2-ethylpiperidin-1-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-ethylpiperidin-1-yl)urea
PubChem CID56999818
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-butyl-3-(2-ethylpiperidin-1-yl)urea
SMILESCCCCNC(=O)NN1CCCCC1CC
InChIInChI=1S/C12H25N3O/c1-3-5-9-13-12(16)14-15-10-7-6-8-11(15)4-2/h11H,3-10H2,1-2H3,(H2,13,14,16)
InChIKeyPWVXNHYMNURFRW-UHFFFAOYSA-N
XLogP2.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-(4-methylpiperazin-1-yl)urea
CID 1530100
Urea, 1-(2-chloroethyl)-3-(2,6-dimethylpiperidino)-
CID 294160
4-Cyclohexyl-1,1-dimethylsemicarbazide
CID 3617823
1-(2,6-Dimethylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)urea
CID 47252530
1-Amino-3-heptylurea
CID 23273579
1-Amino-3-tridecan-7-ylurea
CID 9881578
3-(4-Aminomethyl-1-piperidinyl)-1-cyclohexyl urea
CID 18678573
1-[4-(Aminomethyl)piperidin-1-yl]-3-hexylurea
CID 18678614
1-Amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 19609577
1-(Cyclohexylamino)-3-propylurea
CID 19825800
1-Butyl-1-(2,6-dimethylpiperidin-1-yl)urea
CID 20403154
1-Amino-3-methyl-1-[(1-methylpiperidin-2-yl)methyl]urea
CID 20752999

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethylpiperidin-1-yl)urea?
The IUPAC name of 1-butyl-3-(2-ethylpiperidin-1-yl)urea (CID 56999818) is 1-butyl-3-(2-ethylpiperidin-1-yl)urea.
What is the SMILES notation for 1-butyl-3-(2-ethylpiperidin-1-yl)urea?
The canonical SMILES for 1-butyl-3-(2-ethylpiperidin-1-yl)urea is CCCCNC(=O)NN1CCCCC1CC.
What is the InChIKey of 1-butyl-3-(2-ethylpiperidin-1-yl)urea?
The InChIKey is PWVXNHYMNURFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-5-9-13-12(16)14-15-10-7-6-8-11(15)4-2/h11H,3-10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-butyl-3-(2-ethylpiperidin-1-yl)urea?
1-butyl-3-(2-ethylpiperidin-1-yl)urea has a molecular weight of 227.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-ethylpiperidin-1-yl)urea is sourced from PubChem (CID 56999818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).