3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea

C20H32N4O2 — CID 166217164

IUPAC3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
SMILESCC1CC(N(C)C(=O)NCc2cccnc2OC2CCCC2)CCN1C
InChIInChI=1S/C20H32N4O2/c1-15-13-17(10-12-23(15)2)24(3)20(25)22-14-16-7-6-11-21-19(16)26-18-8-4-5-9-18/h6-7,11,15,17-18H,4-5,8-10,12-14H2,1-3H3,(H,22,25)
InChIKeyWQCKILWOFIJBPL-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.03
Rot. Bonds5

About 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea

3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea (PubChem CID 166217164) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
PubChem CID166217164
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
SMILESCC1CC(N(C)C(=O)NCc2cccnc2OC2CCCC2)CCN1C
InChIInChI=1S/C20H32N4O2/c1-15-13-17(10-12-23(15)2)24(3)20(25)22-14-16-7-6-11-21-19(16)26-18-8-4-5-9-18/h6-7,11,15,17-18H,4-5,8-10,12-14H2,1-3H3,(H,22,25)
InChIKeyWQCKILWOFIJBPL-UHFFFAOYSA-N
XLogP3.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea?
The IUPAC name of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea (CID 166217164) is 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea.
What is the SMILES notation for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea?
The canonical SMILES for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea is CC1CC(N(C)C(=O)NCc2cccnc2OC2CCCC2)CCN1C.
What is the InChIKey of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea?
The InChIKey is WQCKILWOFIJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-13-17(10-12-23(15)2)24(3)20(25)22-14-16-7-6-11-21-19(16)26-18-8-4-5-9-18/h6-7,11,15,17-18H,4-5,8-10,12-14H2,1-3H3,(H,22,25).
What are the key properties of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea?
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea has a molecular weight of 360.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea is sourced from PubChem (CID 166217164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).