N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

C19H22ClN3O2 — CID 72853230

IUPACN-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C(O)c3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-12-15(5-6-16(13)20)22-19(25)23-10-7-14(8-11-23)18(24)17-4-2-3-9-21-17/h2-6,9,12,14,18,24H,7-8,10-11H2,1H3,(H,22,25)
InChIKeyLOONNKKPEDXKBU-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.02
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 72853230) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID72853230
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C(O)c3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-12-15(5-6-16(13)20)22-19(25)23-10-7-14(8-11-23)18(24)17-4-2-3-9-21-17/h2-6,9,12,14,18,24H,7-8,10-11H2,1H3,(H,22,25)
InChIKeyLOONNKKPEDXKBU-UHFFFAOYSA-N
XLogP4.02
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125174868
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 97438061
4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 72876027
N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125172195
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide
CID 124749868
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 91839918
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(1H-indazol-7-yl)piperidine-1-carboxamide
CID 125154869
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 126445664

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (CID 72853230) is N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(C(O)c3ccccn3)CC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is LOONNKKPEDXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-12-15(5-6-16(13)20)22-19(25)23-10-7-14(8-11-23)18(24)17-4-2-3-9-21-17/h2-6,9,12,14,18,24H,7-8,10-11H2,1H3,(H,22,25).
What are the key properties of N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 72853230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).