1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

C18H37N3O2 — CID 111120987

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC1CC(C)CN(CCCCNC(=O)NCC(C)(O)C(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-14(2)18(5,23)13-20-17(22)19-8-6-7-9-21-11-15(3)10-16(4)12-21/h14-16,23H,6-13H2,1-5H3,(H2,19,20,22)
InChIKeyLTUQLMVPTWMZMR-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.45
Rot. Bonds8

About 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111120987) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111120987
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC1CC(C)CN(CCCCNC(=O)NCC(C)(O)C(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-14(2)18(5,23)13-20-17(22)19-8-6-7-9-21-11-15(3)10-16(4)12-21/h14-16,23H,6-13H2,1-5H3,(H2,19,20,22)
InChIKeyLTUQLMVPTWMZMR-UHFFFAOYSA-N
XLogP2.45
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butylcarbamoylamino]propanediamide
CID 94050726
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894449
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
1-(2-hydroxy-2,3-dimethylbutyl)-3-(3-propan-2-yloxypropyl)urea
CID 111120811
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438194
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524
1-[(4-chlorophenyl)methyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55767047
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
CID 110021339
1-(cyclopropylmethyl)-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methylguanidine
CID 111870571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111120987) is 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is CC1CC(C)CN(CCCCNC(=O)NCC(C)(O)C(C)C)C1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is LTUQLMVPTWMZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-14(2)18(5,23)13-20-17(22)19-8-6-7-9-21-11-15(3)10-16(4)12-21/h14-16,23H,6-13H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 327.51 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111120987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).