1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea

C20H33N3O — CID 87003316

IUPAC1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C20H33N3O/c1-4-12-23(16-18-8-6-5-7-9-18)20(24)21-19-10-13-22(14-11-19)15-17(2)3/h5-9,17,19H,4,10-16H2,1-3H3,(H,21,24)
InChIKeySURYDXGRLDGCTH-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.73
Rot. Bonds7

About 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea

1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea (PubChem CID 87003316) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea.

Molecular Properties

Compound Name1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
PubChem CID87003316
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
SMILESCCCN(Cc1ccccc1)C(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C20H33N3O/c1-4-12-23(16-18-8-6-5-7-9-18)20(24)21-19-10-13-22(14-11-19)15-17(2)3/h5-9,17,19H,4,10-16H2,1-3H3,(H,21,24)
InChIKeySURYDXGRLDGCTH-UHFFFAOYSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
CID 42700171
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 131945389
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054
3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110882613
4-[[(4-cyanophenyl)methyl-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025120
2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 87003126
1-benzyl-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-pentylurea
CID 142677027
1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea
CID 71919617
3-[(3R)-1-ethylpyrrolidin-3-yl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 126422640
3-benzyl-1-[(4-methylphenyl)methyl]-1-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 10293998
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea?
The IUPAC name of 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea (CID 87003316) is 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea.
What is the SMILES notation for 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea?
The canonical SMILES for 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea is CCCN(Cc1ccccc1)C(=O)NC1CCN(CC(C)C)CC1.
What is the InChIKey of 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea?
The InChIKey is SURYDXGRLDGCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-4-12-23(16-18-8-6-5-7-9-18)20(24)21-19-10-13-22(14-11-19)15-17(2)3/h5-9,17,19H,4,10-16H2,1-3H3,(H,21,24).
What are the key properties of 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea?
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea has a molecular weight of 331.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea is sourced from PubChem (CID 87003316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).