1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C13H27N3O — CID 113231664

IUPAC1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-4-16(5-2)13(17)14-9-6-12-7-10-15(3)11-8-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyNYRCAGURHNMQKM-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.77
Rot. Bonds5

About 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 113231664) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID113231664
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-4-16(5-2)13(17)14-9-6-12-7-10-15(3)11-8-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyNYRCAGURHNMQKM-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]amino]acetic acid
CID 107439389
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
CID 110369964
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 113231664) is 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CCN(CC)C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is NYRCAGURHNMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(5-2)13(17)14-9-6-12-7-10-15(3)11-8-12/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of 1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 241.38 g/mol, XLogP of 1.77, 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-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 113231664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).