1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea

C18H27N3O2 — CID 110822794

IUPAC1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-18(23)20-16-8-11-21(12-9-16)17(22)13-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H2,19,20,23)
InChIKeyVSAWNGPLSGJSAH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea

1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea (PubChem CID 110822794) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
PubChem CID110822794
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-18(23)20-16-8-11-21(12-9-16)17(22)13-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H2,19,20,23)
InChIKeyVSAWNGPLSGJSAH-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110820802
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
methyl 4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 110822777
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
CID 51107206
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 110819831
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443319

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea (CID 110822794) is 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(C(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea?
The InChIKey is VSAWNGPLSGJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-19-18(23)20-16-8-11-21(12-9-16)17(22)13-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea?
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea has a molecular weight of 317.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 110822794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).