[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea

C23H32N4O — CID 126832937

IUPAC[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea
SMILESCN(Cc1ccccc1)CC(CN1CCC(NC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-26(16-19-8-4-2-5-9-19)17-21(20-10-6-3-7-11-20)18-27-14-12-22(13-15-27)25-23(24)28/h2-11,21-22H,12-18H2,1H3,(H3,24,25,28)
InChIKeyRGWJTGGXYSLACW-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.03
Rot. Bonds8

About [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea

[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea (PubChem CID 126832937) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea
PubChem CID126832937
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea
SMILESCN(Cc1ccccc1)CC(CN1CCC(NC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-26(16-19-8-4-2-5-9-19)17-21(20-10-6-3-7-11-20)18-27-14-12-22(13-15-27)25-23(24)28/h2-11,21-22H,12-18H2,1H3,(H3,24,25,28)
InChIKeyRGWJTGGXYSLACW-UHFFFAOYSA-N
XLogP3.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
CID 87003316
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
CID 56818396
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
3-[[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]methyl]benzoic acid
CID 122029023
ethyl 4-[[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111078737
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467

Frequently Asked Questions

What is the IUPAC name of [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea?
The IUPAC name of [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea (CID 126832937) is [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea is CN(Cc1ccccc1)CC(CN1CCC(NC(N)=O)CC1)c1ccccc1.
What is the InChIKey of [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea?
The InChIKey is RGWJTGGXYSLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-26(16-19-8-4-2-5-9-19)17-21(20-10-6-3-7-11-20)18-27-14-12-22(13-15-27)25-23(24)28/h2-11,21-22H,12-18H2,1H3,(H3,24,25,28).
What are the key properties of [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea?
[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea has a molecular weight of 380.54 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea is sourced from PubChem (CID 126832937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).