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

C12H25N3O — CID 79161560

IUPAC1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCCN(CC)C(=O)NCC1NCCCC1C
InChIInChI=1S/C12H25N3O/c1-4-15(5-2)12(16)14-9-11-10(3)7-6-8-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyFAEXDHFRUWCZFA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds4

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

1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea (PubChem CID 79161560) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
PubChem CID79161560
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCCN(CC)C(=O)NCC1NCCCC1C
InChIInChI=1S/C12H25N3O/c1-4-15(5-2)12(16)14-9-11-10(3)7-6-8-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyFAEXDHFRUWCZFA-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79154184
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
CID 63304890
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
2-ethyl-N-[(3-methylpiperidin-2-yl)methyl]hexanamide
CID 63304747
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
CID 113421960
N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylcyclopentane-1-carboxamide
CID 107176843
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea (CID 79161560) is 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea is CCN(CC)C(=O)NCC1NCCCC1C.
What is the InChIKey of 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The InChIKey is FAEXDHFRUWCZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(5-2)12(16)14-9-11-10(3)7-6-8-13-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea has a molecular weight of 227.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 79161560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).