4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide

C21H27N3O2S — CID 97438061

IUPAC4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
SMILESCC(C)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C21H27N3O2S/c1-15(2)27-19-9-4-3-7-17(19)23-21(26)24-13-10-16(11-14-24)20(25)18-8-5-6-12-22-18/h3-9,12,15-16,20,25H,10-11,13-14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyBNSWLCFPGPSTEZ-HXUWFJFHSA-N
MW385.53 g/mol
LogP4.56
Rot. Bonds5

About 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide

4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 97438061) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID97438061
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
SMILESCC(C)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1
InChIInChI=1S/C21H27N3O2S/c1-15(2)27-19-9-4-3-7-17(19)23-21(26)24-13-10-16(11-14-24)20(25)18-8-5-6-12-22-18/h3-9,12,15-16,20,25H,10-11,13-14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyBNSWLCFPGPSTEZ-HXUWFJFHSA-N
XLogP4.56
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125172195
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(1H-indazol-7-yl)piperidine-1-carboxamide
CID 125154869
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 72853230
4-(2,5-dihydropyrrol-1-yl)-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 86803965
N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125174868
4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 72876027
4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
CID 72913425
N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 97268082
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 90650827
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide (CID 97438061) is 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide is CC(C)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1.
What is the InChIKey of 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is BNSWLCFPGPSTEZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-15(2)27-19-9-4-3-7-17(19)23-21(26)24-13-10-16(11-14-24)20(25)18-8-5-6-12-22-18/h3-9,12,15-16,20,25H,10-11,13-14H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide?
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97438061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).