1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

C20H29N5O — CID 52521591

IUPAC1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N5O/c1-17(14-25-12-6-10-22-25)23-20(26)21-13-19-9-5-11-24(16-19)15-18-7-3-2-4-8-18/h2-4,6-8,10,12,17,19H,5,9,11,13-16H2,1H3,(H2,21,23,26)/t17-,19-/m1/s1
InChIKeyYAMCZMNOHHBNLT-IEBWSBKVSA-N
MW355.49 g/mol
LogP2.48
Rot. Bonds7

About 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 52521591) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID52521591
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N5O/c1-17(14-25-12-6-10-22-25)23-20(26)21-13-19-9-5-11-24(16-19)15-18-7-3-2-4-8-18/h2-4,6-8,10,12,17,19H,5,9,11,13-16H2,1H3,(H2,21,23,26)/t17-,19-/m1/s1
InChIKeyYAMCZMNOHHBNLT-IEBWSBKVSA-N
XLogP2.48
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 98798236
(2S)-2-[(1-benzylazepan-3-yl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 136582146
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
N-[(1-benzylpiperidin-3-yl)methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562636
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 52534975
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 94180964

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 52521591) is 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is YAMCZMNOHHBNLT-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H29N5O/c1-17(14-25-12-6-10-22-25)23-20(26)21-13-19-9-5-11-24(16-19)15-18-7-3-2-4-8-18/h2-4,6-8,10,12,17,19H,5,9,11,13-16H2,1H3,(H2,21,23,26)/t17-,19-/m1/s1.
What are the key properties of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 355.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 52521591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).