1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea

C15H29N3O — CID 67344292

IUPAC1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-15(19)18(13-6-4-3-5-7-13)14-8-10-16-11-9-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyXXELCHUILWUSOD-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.49
Rot. Bonds3

About 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea

1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea (PubChem CID 67344292) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea
PubChem CID67344292
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C1CCCCC1)C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-15(19)18(13-6-4-3-5-7-13)14-8-10-16-11-9-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyXXELCHUILWUSOD-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(dicyclohexylcarbamoylamino)-3-methylbutanoate
CID 3944679
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
CID 165457622
N-cyclohexyl-2-methoxy-N-piperidin-4-ylacetamide
CID 70252471
1,1-dicyclohexyl-3-cyclopropylurea
CID 116653816
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 71024303
(2S)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 61408461
3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
CID 60805183
N,N-dicyclohexyl-2-(methylamino)propanamide
CID 62639646
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea?
The IUPAC name of 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea (CID 67344292) is 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea.
What is the SMILES notation for 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea?
The canonical SMILES for 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea is CC(C)NC(=O)N(C1CCCCC1)C1CCNCC1.
What is the InChIKey of 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea?
The InChIKey is XXELCHUILWUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)17-15(19)18(13-6-4-3-5-7-13)14-8-10-16-11-9-14/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea?
1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea has a molecular weight of 267.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea is sourced from PubChem (CID 67344292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).