1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea

C16H31N3O — CID 166259351

IUPAC1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
SMILESCC1CNCCC1CNC(=O)NC1CCCCCCC1
InChIInChI=1S/C16H31N3O/c1-13-11-17-10-9-14(13)12-18-16(20)19-15-7-5-3-2-4-6-8-15/h13-15,17H,2-12H2,1H3,(H2,18,19,20)
InChIKeyWVGNAOIDSYYHDD-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.64
Rot. Bonds3

About 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea

1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea (PubChem CID 166259351) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
PubChem CID166259351
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
SMILESCC1CNCCC1CNC(=O)NC1CCCCCCC1
InChIInChI=1S/C16H31N3O/c1-13-11-17-10-9-14(13)12-18-16(20)19-15-7-5-3-2-4-6-8-15/h13-15,17H,2-12H2,1H3,(H2,18,19,20)
InChIKeyWVGNAOIDSYYHDD-UHFFFAOYSA-N
XLogP2.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 114700112
1-cyclohexyl-3-[(2-methylcyclopropyl)methyl]urea
CID 115582567
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclohexyl-3-(morpholin-2-ylmethyl)urea
CID 43604010
N-[(3-methylpiperidin-4-yl)methyl]-1,1-dioxothiane-2-carboxamide
CID 114699924
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 114700125

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea (CID 166259351) is 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea is CC1CNCCC1CNC(=O)NC1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea?
The InChIKey is WVGNAOIDSYYHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-11-17-10-9-14(13)12-18-16(20)19-15-7-5-3-2-4-6-8-15/h13-15,17H,2-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea?
1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea has a molecular weight of 281.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 166259351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).