3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

C15H29N3O — CID 108902822

IUPAC3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-17-10-8-14(9-11-17)18(2)15(19)16-12-13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyKNRODLKTHDNVRY-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.30
Rot. Bonds3

About 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 108902822) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID108902822
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-17-10-8-14(9-11-17)18(2)15(19)16-12-13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyKNRODLKTHDNVRY-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
CID 108912761
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
5-cyclohexyl-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 59421574
3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108870291
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
1-methyl-3-[[(1S,3R)-3-methylcyclohexyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572797

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 108902822) is 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)NCC2CCCCC2)CC1.
What is the InChIKey of 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is KNRODLKTHDNVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17-10-8-14(9-11-17)18(2)15(19)16-12-13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 267.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 108902822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).