1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea

C19H29N3O2 — CID 109396901

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-21(14-15-6-5-7-18(15)23)19(24)20-16-8-10-17(11-9-16)22-12-3-2-4-13-22/h8-11,15,18,23H,2-7,12-14H2,1H3,(H,20,24)
InChIKeySDWNQKXLZAJOAS-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.30
Rot. Bonds4

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 109396901) 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-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
PubChem CID109396901
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-21(14-15-6-5-7-18(15)23)19(24)20-16-8-10-17(11-9-16)22-12-3-2-4-13-22/h8-11,15,18,23H,2-7,12-14H2,1H3,(H,20,24)
InChIKeySDWNQKXLZAJOAS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(triazol-1-yl)phenyl]urea
CID 109397030
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 109397072
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500
3-[4-(azocan-1-yl)phenyl]-1-[[4-[[[4-(azocan-1-yl)phenyl]carbamoyl-cyclohexylamino]methyl]cyclohexyl]methyl]-1-cyclohexylurea
CID 18934994
1-cyclohexyl-1-[[(1S,3R)-3-[[cyclohexyl-[(4-piperidin-1-ylphenyl)carbamoyl]amino]methyl]cyclohexyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
CID 70184948
N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 17100035
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
3-(3-chloro-4-cyanophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396934
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea (CID 109396901) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea is CN(CC1CCCC1O)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is SDWNQKXLZAJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(14-15-6-5-7-18(15)23)19(24)20-16-8-10-17(11-9-16)22-12-3-2-4-13-22/h8-11,15,18,23H,2-7,12-14H2,1H3,(H,20,24).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 331.46 g/mol, XLogP of 3.30, 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-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 109396901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).