1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea

C12H25N3O — CID 143486621

IUPAC1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
SMILESCCCN(C)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-5-8-14(3)12(16)15(4)11-6-9-13(2)10-7-11/h11H,5-10H2,1-4H3
InChIKeyYUWHXROXHLOOQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.47
Rot. Bonds3

About 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea

1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea (PubChem CID 143486621) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
PubChem CID143486621
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
SMILESCCCN(C)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-5-8-14(3)12(16)15(4)11-6-9-13(2)10-7-11/h11H,5-10H2,1-4H3
InChIKeyYUWHXROXHLOOQH-UHFFFAOYSA-N
XLogP1.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
CID 61191817
2-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]acetic acid
CID 61191644
1-cyclopropyl-3-ethyl-1,3-dimethylurea
CID 116654142
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
CID 61203323
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea?
The IUPAC name of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea (CID 143486621) is 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea.
What is the SMILES notation for 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea?
The canonical SMILES for 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea is CCCN(C)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea?
The InChIKey is YUWHXROXHLOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-8-14(3)12(16)15(4)11-6-9-13(2)10-7-11/h11H,5-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea?
1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea has a molecular weight of 227.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea is sourced from PubChem (CID 143486621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).