4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide

C23H28ClN3O3 — CID 97259925

IUPAC4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(OC2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)nc1
InChIInChI=1S/C23H28ClN3O3/c1-15(2)21(26-22(28)17-5-7-18(24)8-6-17)23(29)27-12-10-19(11-13-27)30-20-9-4-16(3)14-25-20/h4-9,14-15,19,21H,10-13H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyOGOYTJMJQWCEGG-OAQYLSRUSA-N
MW429.95 g/mol
LogP3.87
Rot. Bonds6

About 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide

4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide (PubChem CID 97259925) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide
PubChem CID97259925
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(OC2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)nc1
InChIInChI=1S/C23H28ClN3O3/c1-15(2)21(26-22(28)17-5-7-18(24)8-6-17)23(29)27-12-10-19(11-13-27)30-20-9-4-16(3)14-25-20/h4-9,14-15,19,21H,10-13H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyOGOYTJMJQWCEGG-OAQYLSRUSA-N
XLogP3.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 58170382
4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112836632
N-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55551043
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
1-(4-chlorophenyl)-4-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]butane-1,4-dione
CID 129418342
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 24759741
[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 95869074
4-chloro-N-[(2S)-1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43002401
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 35807041
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119486980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide (CID 97259925) is 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide is Cc1ccc(OC2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)nc1.
What is the InChIKey of 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
The InChIKey is OGOYTJMJQWCEGG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-15(2)21(26-22(28)17-5-7-18(24)8-6-17)23(29)27-12-10-19(11-13-27)30-20-9-4-16(3)14-25-20/h4-9,14-15,19,21H,10-13H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide?
4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 97259925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).