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

C16H33N3O2 — CID 110894449

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCCCCN1CC(C)CC(C)C1
InChIInChI=1S/C16H33N3O2/c1-4-15(12-20)18-16(21)17-7-5-6-8-19-10-13(2)9-14(3)11-19/h13-15,20H,4-12H2,1-3H3,(H2,17,18,21)
InChIKeyDYNMZMUAVVFJRC-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds8

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

1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110894449) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID110894449
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCCCCN1CC(C)CC(C)C1
InChIInChI=1S/C16H33N3O2/c1-4-15(12-20)18-16(21)17-7-5-6-8-19-10-13(2)9-14(3)11-19/h13-15,20H,4-12H2,1-3H3,(H2,17,18,21)
InChIKeyDYNMZMUAVVFJRC-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butylcarbamoylamino]propanediamide
CID 94050726
1-butyl-3-(1-hydroxybutan-2-yl)urea
CID 43393019
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55931996
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120987
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
1-[(4-chlorophenyl)methyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55767047
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438194
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 47048402

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea (CID 110894449) is 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NCCCCN1CC(C)CC(C)C1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is DYNMZMUAVVFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-15(12-20)18-16(21)17-7-5-6-8-19-10-13(2)9-14(3)11-19/h13-15,20H,4-12H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea?
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 299.46 g/mol, XLogP of 1.81, 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-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110894449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).