1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

C16H31N3O2 — CID 111504652

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCC2CCCC(O)C2)C1
InChIInChI=1S/C16H31N3O2/c1-13-4-3-8-19(12-13)9-7-17-16(21)18-11-14-5-2-6-15(20)10-14/h13-15,20H,2-12H2,1H3,(H2,17,18,21)
InChIKeyGXDLRUXQUBPTFJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.57
Rot. Bonds5

About 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 111504652) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID111504652
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCC2CCCC(O)C2)C1
InChIInChI=1S/C16H31N3O2/c1-13-4-3-8-19(12-13)9-7-17-16(21)18-11-14-5-2-6-15(20)10-14/h13-15,20H,2-12H2,1H3,(H2,17,18,21)
InChIKeyGXDLRUXQUBPTFJ-UHFFFAOYSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea with MolForge

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]urea
CID 124832010
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 110896167
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769
1-[(3-hydroxycyclohexyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111506508
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]urea
CID 51125802
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 55766889
(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
CID 119851018

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 111504652) is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is CC1CCCN(CCNC(=O)NCC2CCCC(O)C2)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is GXDLRUXQUBPTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-4-3-8-19(12-13)9-7-17-16(21)18-11-14-5-2-6-15(20)10-14/h13-15,20H,2-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 297.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 111504652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).