3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide

C16H25N3O2 — CID 111111748

IUPAC3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18(3)14-7-4-6-13(10-14)17-16(21)19-9-5-8-15(20)11-19/h4,6-7,10,12,15,20H,5,8-9,11H2,1-3H3,(H,17,21)
InChIKeyFSKLLLQPFMDRAD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds3

About 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide

3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide (PubChem CID 111111748) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
PubChem CID111111748
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18(3)14-7-4-6-13(10-14)17-16(21)19-9-5-8-15(20)11-19/h4,6-7,10,12,15,20H,5,8-9,11H2,1-3H3,(H,17,21)
InChIKeyFSKLLLQPFMDRAD-UHFFFAOYSA-N
XLogP2.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 96546479
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide (CID 111111748) is 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide is CC(C)N(C)c1cccc(NC(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The InChIKey is FSKLLLQPFMDRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18(3)14-7-4-6-13(10-14)17-16(21)19-9-5-8-15(20)11-19/h4,6-7,10,12,15,20H,5,8-9,11H2,1-3H3,(H,17,21).
What are the key properties of 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 111111748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).