1,1-diethyl-3-(2-piperidin-1-ylethyl)urea

C12H25N3O — CID 115583735

IUPAC1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H25N3O/c1-3-15(4-2)12(16)13-8-11-14-9-6-5-7-10-14/h3-11H2,1-2H3,(H,13,16)
InChIKeyKIVISEUSZQVZIC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds5

About 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea

1,1-diethyl-3-(2-piperidin-1-ylethyl)urea (PubChem CID 115583735) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
PubChem CID115583735
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H25N3O/c1-3-15(4-2)12(16)13-8-11-14-9-6-5-7-10-14/h3-11H2,1-2H3,(H,13,16)
InChIKeyKIVISEUSZQVZIC-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
CID 55134965
2-(diethylcarbamoylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285196
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N,N-diethyl-2-(2-piperidin-1-ylethylamino)propanamide
CID 54967472
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide
CID 111416899
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
CID 112616960
2-[carboxymethyl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 63646345
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea (CID 115583735) is 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea is CCN(CC)C(=O)NCCN1CCCCC1.
What is the InChIKey of 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is KIVISEUSZQVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-15(4-2)12(16)13-8-11-14-9-6-5-7-10-14/h3-11H2,1-2H3,(H,13,16).
What are the key properties of 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea?
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 227.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 115583735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).