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

C16H33N3O2 — CID 110910267

IUPAC1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC(C)CC(O)CNC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C16H33N3O2/c1-12(2)9-15(20)11-18-16(21)17-10-14(4)19-7-5-13(3)6-8-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21)
InChIKeyVFDZUSQSASROIU-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds7

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

1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 110910267) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID110910267
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC(C)CC(O)CNC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C16H33N3O2/c1-12(2)9-15(20)11-18-16(21)17-10-14(4)19-7-5-13(3)6-8-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21)
InChIKeyVFDZUSQSASROIU-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
CID 95154757
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea (CID 110910267) is 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea is CC(C)CC(O)CNC(=O)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is VFDZUSQSASROIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-12(2)9-15(20)11-18-16(21)17-10-14(4)19-7-5-13(3)6-8-19/h12-15,20H,5-11H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 299.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 110910267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).