1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea

C18H29N3O2 — CID 111505174

IUPAC1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
SMILESCC(C)C(O)CCNC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)17(22)8-11-19-18(23)20-15-9-12-21(13-10-15)16-6-4-3-5-7-16/h3-7,14-15,17,22H,8-13H2,1-2H3,(H2,19,20,23)
InChIKeyUHFYCHXPBHDWBT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.36
Rot. Bonds6

About 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea

1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 111505174) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
PubChem CID111505174
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
SMILESCC(C)C(O)CCNC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)17(22)8-11-19-18(23)20-15-9-12-21(13-10-15)16-6-4-3-5-7-16/h3-7,14-15,17,22H,8-13H2,1-2H3,(H2,19,20,23)
InChIKeyUHFYCHXPBHDWBT-UHFFFAOYSA-N
XLogP2.36
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
1-(3-ethylsulfanylpropyl)-3-(1-phenylpiperidin-4-yl)urea
CID 100728941
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea (CID 111505174) is 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea is CC(C)C(O)CCNC(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is UHFYCHXPBHDWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)17(22)8-11-19-18(23)20-15-9-12-21(13-10-15)16-6-4-3-5-7-16/h3-7,14-15,17,22H,8-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea?
1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 111505174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).