1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea

C11H23N3O — CID 63304890

IUPAC1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1NCCCC1C
InChIInChI=1S/C11H23N3O/c1-3-6-13-11(15)14-8-10-9(2)5-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyPUQKYUFCARESBX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.08
Rot. Bonds4

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

1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea (PubChem CID 63304890) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
PubChem CID63304890
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1NCCCC1C
InChIInChI=1S/C11H23N3O/c1-3-6-13-11(15)14-8-10-9(2)5-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyPUQKYUFCARESBX-UHFFFAOYSA-N
XLogP1.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
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
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
CID 113421960
2-ethyl-N-[(3-methylpiperidin-2-yl)methyl]hexanamide
CID 63304747
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304885
N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061
N-propylpyrrolidine-2-carboxamide
CID 4984185

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea (CID 63304890) is 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea is CCCNC(=O)NCC1NCCCC1C.
What is the InChIKey of 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea?
The InChIKey is PUQKYUFCARESBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-6-13-11(15)14-8-10-9(2)5-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea?
1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea is sourced from PubChem (CID 63304890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).