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

C18H35N3O2 — CID 111506154

IUPAC1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCCCCN1CCCCC1CNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C18H35N3O2/c1-2-3-10-21-11-5-4-8-16(21)14-20-18(23)19-13-15-7-6-9-17(22)12-15/h15-17,22H,2-14H2,1H3,(H2,19,20,23)
InChIKeyAQWPEJNZYZVCBF-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.49
Rot. Bonds7

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

1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111506154) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111506154
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCCCCN1CCCCC1CNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C18H35N3O2/c1-2-3-10-21-11-5-4-8-16(21)14-20-18(23)19-13-15-7-6-9-17(22)12-15/h15-17,22H,2-14H2,1H3,(H2,19,20,23)
InChIKeyAQWPEJNZYZVCBF-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
CID 124880993
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111504652
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
1-dodecyl-2-ethylpiperidine
CID 171569899
1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea
CID 86953624
bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
CID 57049315
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
1-[(3-hydroxycyclohexyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111506508

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111506154) is 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CCCCN1CCCCC1CNC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is AQWPEJNZYZVCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-2-3-10-21-11-5-4-8-16(21)14-20-18(23)19-13-15-7-6-9-17(22)12-15/h15-17,22H,2-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).