1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea

C11H23N3O — CID 116655563

IUPAC1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
SMILESCCCNC(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H23N3O/c1-4-7-12-11(15)14(3)10-6-5-8-13(2)9-10/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyGMJGNFFFONVKHH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds3

About 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea

1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea (PubChem CID 116655563) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
PubChem CID116655563
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
SMILESCCCNC(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H23N3O/c1-4-7-12-11(15)14(3)10-6-5-8-13(2)9-10/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyGMJGNFFFONVKHH-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
N-methyl-N-(1-methylpiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62540530
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea (CID 116655563) is 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea is CCCNC(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea?
The InChIKey is GMJGNFFFONVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-7-12-11(15)14(3)10-6-5-8-13(2)9-10/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea?
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea is sourced from PubChem (CID 116655563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).