1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea

C15H29N3O2 — CID 110933278

IUPAC1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
SMILESO=C(NCCCCN1CCCC1)NC1CCCCC1O
InChIInChI=1S/C15H29N3O2/c19-14-8-2-1-7-13(14)17-15(20)16-9-3-4-10-18-11-5-6-12-18/h13-14,19H,1-12H2,(H2,16,17,20)
InChIKeyIPXBKBQOYVQFCD-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.47
Rot. Bonds6

About 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea

1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea (PubChem CID 110933278) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
PubChem CID110933278
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
SMILESO=C(NCCCCN1CCCC1)NC1CCCCC1O
InChIInChI=1S/C15H29N3O2/c19-14-8-2-1-7-13(14)17-15(20)16-9-3-4-10-18-11-5-6-12-18/h13-14,19H,1-12H2,(H2,16,17,20)
InChIKeyIPXBKBQOYVQFCD-UHFFFAOYSA-N
XLogP1.47
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 110933279
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66239977
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(3-methylpiperidin-1-yl)propyl]urea
CID 111630554
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea (CID 110933278) is 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea is O=C(NCCCCN1CCCC1)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea?
The InChIKey is IPXBKBQOYVQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c19-14-8-2-1-7-13(14)17-15(20)16-9-3-4-10-18-11-5-6-12-18/h13-14,19H,1-12H2,(H2,16,17,20).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea?
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea has a molecular weight of 283.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea is sourced from PubChem (CID 110933278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).