1-methyl-1-piperidin-3-yl-3-propylurea

C10H21N3O — CID 60800516

IUPAC1-methyl-1-piperidin-3-yl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCCNC1
InChIInChI=1S/C10H21N3O/c1-3-6-12-10(14)13(2)9-5-4-7-11-8-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyAQJOFWSDIZSSNT-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds3

About 1-methyl-1-piperidin-3-yl-3-propylurea

1-methyl-1-piperidin-3-yl-3-propylurea (PubChem CID 60800516) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-1-piperidin-3-yl-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-piperidin-3-yl-3-propylurea
PubChem CID60800516
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-methyl-1-piperidin-3-yl-3-propylurea
SMILESCCCNC(=O)N(C)C1CCCNC1
InChIInChI=1S/C10H21N3O/c1-3-6-12-10(14)13(2)9-5-4-7-11-8-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyAQJOFWSDIZSSNT-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperazinecarboxamide, N,4-dicyclohexyl-
CID 1247123
N-Methyl-1-piperidinecarboxamide
CID 3442879
N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
4-amino-N-cyclohexylpiperidine-1-carboxamide
CID 6489233
N,N-Diethylpiperazine-1-carboxamide
CID 67067
1-(1-Piperidinylcarbonyl)piperazine
CID 1095015

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-piperidin-3-yl-3-propylurea?
The IUPAC name of 1-methyl-1-piperidin-3-yl-3-propylurea (CID 60800516) is 1-methyl-1-piperidin-3-yl-3-propylurea.
What is the SMILES notation for 1-methyl-1-piperidin-3-yl-3-propylurea?
The canonical SMILES for 1-methyl-1-piperidin-3-yl-3-propylurea is CCCNC(=O)N(C)C1CCCNC1.
What is the InChIKey of 1-methyl-1-piperidin-3-yl-3-propylurea?
The InChIKey is AQJOFWSDIZSSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-6-12-10(14)13(2)9-5-4-7-11-8-9/h9,11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 1-methyl-1-piperidin-3-yl-3-propylurea?
1-methyl-1-piperidin-3-yl-3-propylurea has a molecular weight of 199.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-piperidin-3-yl-3-propylurea is sourced from PubChem (CID 60800516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).