1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

C20H31N3O2 — CID 111861088

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC1CC(NC(=O)NCC2(O)CCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16-13-18(9-12-23(16)14-17-7-3-2-4-8-17)22-19(24)21-15-20(25)10-5-6-11-20/h2-4,7-8,16,18,25H,5-6,9-15H2,1H3,(H2,21,22,24)
InChIKeyDIPUMKSQWHBLMH-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.64
Rot. Bonds5

About 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111861088) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111861088
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC1CC(NC(=O)NCC2(O)CCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16-13-18(9-12-23(16)14-17-7-3-2-4-8-17)22-19(24)21-15-20(25)10-5-6-11-20/h2-4,7-8,16,18,25H,5-6,9-15H2,1H3,(H2,21,22,24)
InChIKeyDIPUMKSQWHBLMH-UHFFFAOYSA-N
XLogP2.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111861088) is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is CC1CC(NC(=O)NCC2(O)CCCC2)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is DIPUMKSQWHBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-13-18(9-12-23(16)14-17-7-3-2-4-8-17)22-19(24)21-15-20(25)10-5-6-11-20/h2-4,7-8,16,18,25H,5-6,9-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111861088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).