1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea

C20H25N3O — CID 51941035

IUPAC1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
SMILESO=C(NCc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c24-20(21-14-17-8-3-1-4-9-17)22-19-12-7-13-23(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyHZBJHOOYTAWBLK-IBGZPJMESA-N
MW323.44 g/mol
LogP3.15
Rot. Bonds5

About 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea

1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea (PubChem CID 51941035) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
PubChem CID51941035
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
SMILESO=C(NCc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c24-20(21-14-17-8-3-1-4-9-17)22-19-12-7-13-23(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyHZBJHOOYTAWBLK-IBGZPJMESA-N
XLogP3.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309373
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-(1-benzylazocan-3-yl)-3-[(6-oxo-1H-pyridazin-3-yl)methyl]urea
CID 138056976
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 94160787

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea?
The IUPAC name of 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea (CID 51941035) is 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea.
What is the SMILES notation for 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea?
The canonical SMILES for 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea is O=C(NCc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea?
The InChIKey is HZBJHOOYTAWBLK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-14-17-8-3-1-4-9-17)22-19-12-7-13-23(16-19)15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H2,21,22,24)/t19-/m0/s1.
What are the key properties of 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea?
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea is sourced from PubChem (CID 51941035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).