2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide

C19H22ClN3O2 — CID 91841222

IUPAC2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
SMILESCc1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1
InChIInChI=1S/C19H22ClN3O2/c1-13-5-6-16(20)15(10-13)19(25)22-17-7-9-23(12-18(17)24)11-14-4-2-3-8-21-14/h2-6,8,10,17-18,24H,7,9,11-12H2,1H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyUMWYKGLFKCUWKR-QZTJIDSGSA-N
MW359.86 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide

2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide (PubChem CID 91841222) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
PubChem CID91841222
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
SMILESCc1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1
InChIInChI=1S/C19H22ClN3O2/c1-13-5-6-16(20)15(10-13)19(25)22-17-7-9-23(12-18(17)24)11-14-4-2-3-8-21-14/h2-6,8,10,17-18,24H,7,9,11-12H2,1H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyUMWYKGLFKCUWKR-QZTJIDSGSA-N
XLogP2.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-5-chloro-N-[(3S,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxybenzamide
CID 67914575
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 91843528
5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 164642664
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 91834182
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
CID 91832262
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 91837997
N-[(3R,4R)-3-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70783420
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91830426
(3R,4R)-4-(1,4-dithiepan-6-ylamino)-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 91830913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide?
The IUPAC name of 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide (CID 91841222) is 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide is Cc1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1.
What is the InChIKey of 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide?
The InChIKey is UMWYKGLFKCUWKR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-5-6-16(20)15(10-13)19(25)22-17-7-9-23(12-18(17)24)11-14-4-2-3-8-21-14/h2-6,8,10,17-18,24H,7,9,11-12H2,1H3,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide?
2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide is sourced from PubChem (CID 91841222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).