1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea

C23H37N3O — CID 141100611

IUPAC1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H37N3O/c1-2-15-26(23(27)24-18-20-9-5-3-6-10-20)22-13-16-25(17-14-22)19-21-11-7-4-8-12-21/h4,7-8,11-12,20,22H,2-3,5-6,9-10,13-19H2,1H3,(H,24,27)
InChIKeyHIVHYQSXIVKKSM-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.65
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea

1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea (PubChem CID 141100611) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
PubChem CID141100611
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCCCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H37N3O/c1-2-15-26(23(27)24-18-20-9-5-3-6-10-20)22-13-16-25(17-14-22)19-21-11-7-4-8-12-21/h4,7-8,11-12,20,22H,2-3,5-6,9-10,13-19H2,1H3,(H,24,27)
InChIKeyHIVHYQSXIVKKSM-UHFFFAOYSA-N
XLogP4.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
3-(2-cyclohexylethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-propylurea
CID 67037786
4-[cyclohexylmethylcarbamoyl(2-methoxyethyl)amino]-1-[[4-[4-[(sulfinatoamino)methyl]phenoxy]phenyl]methyl]piperidine
CID 91400892
3-(cyclohexylmethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-(2-methoxyethyl)urea
CID 67038312
benzene;N-[3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]cyclopentyl]-N-methylcyclohexanecarboxamide
CID 142033558
2-[[3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]cyclopentyl]-methylamino]acetic acid
CID 142033219
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
4-benzyl-N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960598

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea (CID 141100611) is 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea is CCCN(C(=O)NCC1CCCCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea?
The InChIKey is HIVHYQSXIVKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-2-15-26(23(27)24-18-20-9-5-3-6-10-20)22-13-16-25(17-14-22)19-21-11-7-4-8-12-21/h4,7-8,11-12,20,22H,2-3,5-6,9-10,13-19H2,1H3,(H,24,27).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea?
1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea has a molecular weight of 371.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethyl)-1-propylurea is sourced from PubChem (CID 141100611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).