N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide

C15H19ClN2O4 — CID 91836572

IUPACN-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O
InChIInChI=1S/C15H19ClN2O4/c1-9(19)18-6-5-12(13(20)8-18)17-15(21)11-4-3-10(16)7-14(11)22-2/h3-4,7,12-13,20H,5-6,8H2,1-2H3,(H,17,21)/t12-,13-/m1/s1
InChIKeyMFJIFOPCXBMEFQ-CHWSQXEVSA-N
MW326.78 g/mol
LogP1.06
Rot. Bonds3

About N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide

N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide (PubChem CID 91836572) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
PubChem CID91836572
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC NameN-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O
InChIInChI=1S/C15H19ClN2O4/c1-9(19)18-6-5-12(13(20)8-18)17-15(21)11-4-3-10(16)7-14(11)22-2/h3-4,7,12-13,20H,5-6,8H2,1-2H3,(H,17,21)/t12-,13-/m1/s1
InChIKeyMFJIFOPCXBMEFQ-CHWSQXEVSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
CID 50847664
2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide
CID 118777593
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide?
The IUPAC name of N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide (CID 91836572) is N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide?
The InChIKey is MFJIFOPCXBMEFQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-9(19)18-6-5-12(13(20)8-18)17-15(21)11-4-3-10(16)7-14(11)22-2/h3-4,7,12-13,20H,5-6,8H2,1-2H3,(H,17,21)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide?
N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide has a molecular weight of 326.78 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 91836572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).