1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea

C16H26N4O2 — CID 56785065

IUPAC1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
SMILESCC1CCN(CC(O)CNC(=O)NCc2ccncc2)CC1
InChIInChI=1S/C16H26N4O2/c1-13-4-8-20(9-5-13)12-15(21)11-19-16(22)18-10-14-2-6-17-7-3-14/h2-3,6-7,13,15,21H,4-5,8-12H2,1H3,(H2,18,19,22)
InChIKeyUHHLFRDKTJFQKK-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.97
Rot. Bonds6

About 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea

1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 56785065) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID56785065
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
SMILESCC1CCN(CC(O)CNC(=O)NCc2ccncc2)CC1
InChIInChI=1S/C16H26N4O2/c1-13-4-8-20(9-5-13)12-15(21)11-19-16(22)18-10-14-2-6-17-7-3-14/h2-3,6-7,13,15,21H,4-5,8-12H2,1H3,(H2,18,19,22)
InChIKeyUHHLFRDKTJFQKK-UHFFFAOYSA-N
XLogP0.97
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111413
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111509367
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea (CID 56785065) is 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea is CC1CCN(CC(O)CNC(=O)NCc2ccncc2)CC1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is UHHLFRDKTJFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-4-8-20(9-5-13)12-15(21)11-19-16(22)18-10-14-2-6-17-7-3-14/h2-3,6-7,13,15,21H,4-5,8-12H2,1H3,(H2,18,19,22).
What are the key properties of 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea?
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 306.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 56785065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).