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

C19H29N3O2 — CID 109398500

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
SMILESCN(CC1CCCC1O)C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-21(14-15-6-5-9-18(15)23)19(24)20-16-10-12-22(13-11-16)17-7-3-2-4-8-17/h2-4,7-8,15-16,18,23H,5-6,9-14H2,1H3,(H,20,24)
InChIKeyUKBKCSMUKHRLAW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.46
Rot. Bonds4

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 109398500) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
PubChem CID109398500
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
SMILESCN(CC1CCCC1O)C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-21(14-15-6-5-9-18(15)23)19(24)20-16-10-12-22(13-11-16)17-7-3-2-4-8-17/h2-4,7-8,15-16,18,23H,5-6,9-14H2,1H3,(H,20,24)
InChIKeyUKBKCSMUKHRLAW-UHFFFAOYSA-N
XLogP2.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 110012790
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 109397072
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 109398543
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 124731511
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109400509
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea (CID 109398500) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea is CN(CC1CCCC1O)C(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is UKBKCSMUKHRLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(14-15-6-5-9-18(15)23)19(24)20-16-10-12-22(13-11-16)17-7-3-2-4-8-17/h2-4,7-8,15-16,18,23H,5-6,9-14H2,1H3,(H,20,24).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 109398500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).