1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C23H38N4O — CID 47082340

IUPAC1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NCC1CCCN(Cc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C23H38N4O/c1-23(2,27-14-7-4-8-15-27)19-25-22(28)24-16-21-12-9-13-26(18-21)17-20-10-5-3-6-11-20/h3,5-6,10-11,21H,4,7-9,12-19H2,1-2H3,(H2,24,25,28)
InChIKeyGFAWXQCMADHDMW-UHFFFAOYSA-N
MW386.58 g/mol
LogP3.46
Rot. Bonds7

About 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 47082340) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID47082340
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NCC1CCCN(Cc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C23H38N4O/c1-23(2,27-14-7-4-8-15-27)19-25-22(28)24-16-21-12-9-13-26(18-21)17-20-10-5-3-6-11-20/h3,5-6,10-11,21H,4,7-9,12-19H2,1-2H3,(H2,24,25,28)
InChIKeyGFAWXQCMADHDMW-UHFFFAOYSA-N
XLogP3.46
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 97226935
(2S)-2-[(1-benzylazepan-3-yl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 136582146
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 47082340) is 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea is CC(C)(CNC(=O)NCC1CCCN(Cc2ccccc2)C1)N1CCCCC1.
What is the InChIKey of 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is GFAWXQCMADHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-23(2,27-14-7-4-8-15-27)19-25-22(28)24-16-21-12-9-13-26(18-21)17-20-10-5-3-6-11-20/h3,5-6,10-11,21H,4,7-9,12-19H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 386.58 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 47082340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).