1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea

C18H29N3O2 — CID 110902742

IUPAC1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
SMILESCC1CCN(C(CNC(=O)NCCCO)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-15-8-11-21(12-9-15)17(16-6-3-2-4-7-16)14-20-18(23)19-10-5-13-22/h2-4,6-7,15,17,22H,5,8-14H2,1H3,(H2,19,20,23)
InChIKeyFFHINUPGPZEBLQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.14
Rot. Bonds7

About 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea

1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea (PubChem CID 110902742) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
PubChem CID110902742
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
SMILESCC1CCN(C(CNC(=O)NCCCO)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-15-8-11-21(12-9-15)17(16-6-3-2-4-7-16)14-20-18(23)19-10-5-13-22/h2-4,6-7,15,17,22H,5,8-14H2,1H3,(H2,19,20,23)
InChIKeyFFHINUPGPZEBLQ-UHFFFAOYSA-N
XLogP2.14
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
CID 110622266
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
CID 60552154
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 60551422
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea (CID 110902742) is 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea is CC1CCN(C(CNC(=O)NCCCO)c2ccccc2)CC1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea?
The InChIKey is FFHINUPGPZEBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15-8-11-21(12-9-15)17(16-6-3-2-4-7-16)14-20-18(23)19-10-5-13-22/h2-4,6-7,15,17,22H,5,8-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea?
1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea is sourced from PubChem (CID 110902742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).