1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea

C17H28N4O2 — CID 47042538

IUPAC1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
SMILESCOc1ncccc1NC(=O)NCCCCN1CCCC(C)C1
InChIInChI=1S/C17H28N4O2/c1-14-7-6-12-21(13-14)11-4-3-9-19-17(22)20-15-8-5-10-18-16(15)23-2/h5,8,10,14H,3-4,6-7,9,11-13H2,1-2H3,(H2,19,20,22)
InChIKeyUWAVSTXFAZOHCZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.72
Rot. Bonds7

About 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea

1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea (PubChem CID 47042538) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
PubChem CID47042538
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
SMILESCOc1ncccc1NC(=O)NCCCCN1CCCC(C)C1
InChIInChI=1S/C17H28N4O2/c1-14-7-6-12-21(13-14)11-4-3-9-19-17(22)20-15-8-5-10-18-16(15)23-2/h5,8,10,14H,3-4,6-7,9,11-13H2,1-2H3,(H2,19,20,22)
InChIKeyUWAVSTXFAZOHCZ-UHFFFAOYSA-N
XLogP2.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.72
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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Related Compounds

N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate
CID 87007007
1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 55744742
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 110911703
2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 92584070
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea (CID 47042538) is 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea is COc1ncccc1NC(=O)NCCCCN1CCCC(C)C1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea?
The InChIKey is UWAVSTXFAZOHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14-7-6-12-21(13-14)11-4-3-9-19-17(22)20-15-8-5-10-18-16(15)23-2/h5,8,10,14H,3-4,6-7,9,11-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea?
1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea has a molecular weight of 320.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea is sourced from PubChem (CID 47042538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).