4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide

C22H29N3O2 — CID 122557396

IUPAC4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(c2cccc(O)c2)CC1)c1cccnc1
InChIInChI=1S/C22H29N3O2/c1-16(2)13-21(19-6-4-10-23-15-19)24-22(27)25-11-8-17(9-12-25)18-5-3-7-20(26)14-18/h3-7,10,14-17,21,26H,8-9,11-13H2,1-2H3,(H,24,27)
InChIKeyXFCPTAJQPMKOCV-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.46
Rot. Bonds5

About 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide

4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide (PubChem CID 122557396) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide
PubChem CID122557396
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(c2cccc(O)c2)CC1)c1cccnc1
InChIInChI=1S/C22H29N3O2/c1-16(2)13-21(19-6-4-10-23-15-19)24-22(27)25-11-8-17(9-12-25)18-5-3-7-20(26)14-18/h3-7,10,14-17,21,26H,8-9,11-13H2,1-2H3,(H,24,27)
InChIKeyXFCPTAJQPMKOCV-UHFFFAOYSA-N
XLogP4.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
CID 126446556
4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
CID 125443318
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
CID 122565648
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
3-cyclopropyl-5-methyl-N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-1H-pyrazole-4-carboxamide
CID 125154989
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
(3S)-3-[(dimethylamino)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 99625620

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide (CID 122557396) is 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide is CC(C)CC(NC(=O)N1CCC(c2cccc(O)c2)CC1)c1cccnc1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide?
The InChIKey is XFCPTAJQPMKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)13-21(19-6-4-10-23-15-19)24-22(27)25-11-8-17(9-12-25)18-5-3-7-20(26)14-18/h3-7,10,14-17,21,26H,8-9,11-13H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide?
4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 122557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).