1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C18H33N5O — CID 51096028

IUPAC1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1C(C)NC(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C18H33N5O/c1-13-7-11-23(12-8-13)10-6-9-19-18(24)20-14(2)17-15(3)21-22(5)16(17)4/h13-14H,6-12H2,1-5H3,(H2,19,20,24)
InChIKeyOVARCYGGHQKJLD-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.52
Rot. Bonds6

About 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 51096028) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID51096028
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1C(C)NC(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C18H33N5O/c1-13-7-11-23(12-8-13)10-6-9-19-18(24)20-14(2)17-15(3)21-22(5)16(17)4/h13-14H,6-12H2,1-5H3,(H2,19,20,24)
InChIKeyOVARCYGGHQKJLD-UHFFFAOYSA-N
XLogP2.52
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 51096028) is 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1C(C)NC(=O)NCCCN1CCC(C)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is OVARCYGGHQKJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-13-7-11-23(12-8-13)10-6-9-19-18(24)20-14(2)17-15(3)21-22(5)16(17)4/h13-14H,6-12H2,1-5H3,(H2,19,20,24).
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 335.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 51096028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).