3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide

C16H24N2O3 — CID 110903274

IUPAC3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12-5-3-7-15(9-12)21-11-13(2)17-16(20)18-8-4-6-14(19)10-18/h3,5,7,9,13-14,19H,4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyPCOXKQIHUFPKAU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds4

About 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide

3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide (PubChem CID 110903274) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
PubChem CID110903274
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12-5-3-7-15(9-12)21-11-13(2)17-16(20)18-8-4-6-14(19)10-18/h3,5,7,9,13-14,19H,4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyPCOXKQIHUFPKAU-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52738130
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299994
(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94473764
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
CID 99632956
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide (CID 110903274) is 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide is Cc1cccc(OCC(C)NC(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is PCOXKQIHUFPKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-3-7-15(9-12)21-11-13(2)17-16(20)18-8-4-6-14(19)10-18/h3,5,7,9,13-14,19H,4,6,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide?
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 110903274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).