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

C10H21N3O — CID 63304934

IUPAC1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCCNC(=O)NCC1NCCCC1C
InChIInChI=1S/C10H21N3O/c1-3-11-10(14)13-7-9-8(2)5-4-6-12-9/h8-9,12H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeySKNVRTJMDPFQHY-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.69
Rot. Bonds3

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

1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea (PubChem CID 63304934) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
PubChem CID63304934
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCCNC(=O)NCC1NCCCC1C
InChIInChI=1S/C10H21N3O/c1-3-11-10(14)13-7-9-8(2)5-4-6-12-9/h8-9,12H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeySKNVRTJMDPFQHY-UHFFFAOYSA-N
XLogP0.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
CID 63304890
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79161560
1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79154184
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304885
2-ethyl-N-[(3-methylpiperidin-2-yl)methyl]hexanamide
CID 63304747
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
CID 113421960
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea (CID 63304934) is 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea is CCNC(=O)NCC1NCCCC1C.
What is the InChIKey of 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
The InChIKey is SKNVRTJMDPFQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-11-10(14)13-7-9-8(2)5-4-6-12-9/h8-9,12H,3-7H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea?
1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea has a molecular weight of 199.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 63304934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).