1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea

C18H29N3O — CID 6469065

IUPAC1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCCC(C)c1ccc(NC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-3-15(2)16-7-9-17(10-8-16)20-18(22)19-11-14-21-12-5-4-6-13-21/h7-10,15H,3-6,11-14H2,1-2H3,(H2,19,20,22)
InChIKeyLTADXZKUHAHAGS-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6469065) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6469065
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCCC(C)c1ccc(NC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-3-15(2)16-7-9-17(10-8-16)20-18(22)19-11-14-21-12-5-4-6-13-21/h7-10,15H,3-6,11-14H2,1-2H3,(H2,19,20,22)
InChIKeyLTADXZKUHAHAGS-UHFFFAOYSA-N
XLogP3.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 143457102
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
4-[2-(azepan-1-yl)ethylcarbamoylamino]-2-chloro-N-ethylbenzamide
CID 118775045
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
CID 6470232
N,N,2-trimethyl-4-(2-piperidin-1-ylethylcarbamoylamino)benzamide
CID 71874325
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6469065) is 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea is CCC(C)c1ccc(NC(=O)NCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is LTADXZKUHAHAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-15(2)16-7-9-17(10-8-16)20-18(22)19-11-14-21-12-5-4-6-13-21/h7-10,15H,3-6,11-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 303.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).