1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea

C17H27N3O — CID 51952341

IUPAC1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)NCc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14-10-15(2)13-20(12-14)9-8-18-17(21)19-11-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,18,19,21)/t14-,15-/m1/s1
InChIKeyCDTMAWVZYVJMJE-HUUCEWRRSA-N
MW289.42 g/mol
LogP2.46
Rot. Bonds5

About 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea

1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea (PubChem CID 51952341) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
PubChem CID51952341
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)NCc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14-10-15(2)13-20(12-14)9-8-18-17(21)19-11-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,18,19,21)/t14-,15-/m1/s1
InChIKeyCDTMAWVZYVJMJE-HUUCEWRRSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55767047
1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55715544
1-benzyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747692
1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51952440
1-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 47038651
N-benzyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154521
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55931996
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973220
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51725576
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea (CID 51952341) is 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea is C[C@@H]1C[C@@H](C)CN(CCNC(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea?
The InChIKey is CDTMAWVZYVJMJE-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-10-15(2)13-20(12-14)9-8-18-17(21)19-11-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,18,19,21)/t14-,15-/m1/s1.
What are the key properties of 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea?
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea has a molecular weight of 289.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea is sourced from PubChem (CID 51952341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).