1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea

C16H30N4O2 — CID 154765263

IUPAC1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea
SMILESCN1CCCCC(CNC(=O)NCC2CCN(C)C(=O)C2)C1
InChIInChI=1S/C16H30N4O2/c1-19-7-4-3-5-14(12-19)11-18-16(22)17-10-13-6-8-20(2)15(21)9-13/h13-14H,3-12H2,1-2H3,(H2,17,18,22)
InChIKeyDHPOMXUCJZFCTK-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.89
Rot. Bonds4

About 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea

1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea (PubChem CID 154765263) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea
PubChem CID154765263
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea
SMILESCN1CCCCC(CNC(=O)NCC2CCN(C)C(=O)C2)C1
InChIInChI=1S/C16H30N4O2/c1-19-7-4-3-5-14(12-19)11-18-16(22)17-10-13-6-8-20(2)15(21)9-13/h13-14H,3-12H2,1-2H3,(H2,17,18,22)
InChIKeyDHPOMXUCJZFCTK-UHFFFAOYSA-N
XLogP0.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
2,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 115428664
1-(1-bicyclo[2.2.1]heptanyl)-3-[(1-methylazepan-3-yl)methyl]urea
CID 138051799
2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
CID 122458449
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
2-methoxy-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 114144666
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
CID 154770335
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]acetamide
CID 166429795
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea (CID 154765263) is 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea is CN1CCCCC(CNC(=O)NCC2CCN(C)C(=O)C2)C1.
What is the InChIKey of 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea?
The InChIKey is DHPOMXUCJZFCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-19-7-4-3-5-14(12-19)11-18-16(22)17-10-13-6-8-20(2)15(21)9-13/h13-14H,3-12H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea?
1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea has a molecular weight of 310.44 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea is sourced from PubChem (CID 154765263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).