(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C22H29N3O3 — CID 42101490

IUPAC(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)(CO)CN1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1
InChIInChI=1S/C22H29N3O3/c1-22(2,16-26)15-25-12-6-7-17(14-25)21(27)24-19-9-3-4-10-20(19)28-18-8-5-11-23-13-18/h3-5,8-11,13,17,26H,6-7,12,14-16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyGQYBMVAZVXHMMQ-QGZVFWFLSA-N
MW383.49 g/mol
LogP3.54
Rot. Bonds7

About (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 42101490) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID42101490
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)(CO)CN1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1
InChIInChI=1S/C22H29N3O3/c1-22(2,16-26)15-25-12-6-7-17(14-25)21(27)24-19-9-3-4-10-20(19)28-18-8-5-11-23-13-18/h3-5,8-11,13,17,26H,6-7,12,14-16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyGQYBMVAZVXHMMQ-QGZVFWFLSA-N
XLogP3.54
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128
(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25275507
(3R)-1-[(5-ethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25288806
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45233230
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45171721
1-(1H-imidazole-5-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45230988
(3S)-1-(6-methylpyrimidin-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97273822
N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 45218608
(3S)-1-(4-cyano-2-pyridinyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97275244
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 42101490) is (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is CC(C)(CO)CN1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1.
What is the InChIKey of (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is GQYBMVAZVXHMMQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,16-26)15-25-12-6-7-17(14-25)21(27)24-19-9-3-4-10-20(19)28-18-8-5-11-23-13-18/h3-5,8-11,13,17,26H,6-7,12,14-16H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42101490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).