N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

C25H31N3O5 — CID 51954783

IUPACN-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)c3cccc(O)c3)CC2)C(C)C)cc1
InChIInChI=1S/C25H31N3O5/c1-16(2)22(27-23(30)17-7-9-21(33-3)10-8-17)24(31)26-19-11-13-28(14-12-19)25(32)18-5-4-6-20(29)15-18/h4-10,15-16,19,22,29H,11-14H2,1-3H3,(H,26,31)(H,27,30)/t22-/m1/s1
InChIKeyBOUBOFHJUOKNAG-JOCHJYFZSA-N
MW453.54 g/mol
LogP2.58
Rot. Bonds7

About N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 51954783) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID51954783
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)c3cccc(O)c3)CC2)C(C)C)cc1
InChIInChI=1S/C25H31N3O5/c1-16(2)22(27-23(30)17-7-9-21(33-3)10-8-17)24(31)26-19-11-13-28(14-12-19)25(32)18-5-4-6-20(29)15-18/h4-10,15-16,19,22,29H,11-14H2,1-3H3,(H,26,31)(H,27,30)/t22-/m1/s1
InChIKeyBOUBOFHJUOKNAG-JOCHJYFZSA-N
XLogP2.58
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 46540408
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
CID 46535547
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119623179

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 51954783) is N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)c3cccc(O)c3)CC2)C(C)C)cc1.
What is the InChIKey of N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is BOUBOFHJUOKNAG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-16(2)22(27-23(30)17-7-9-21(33-3)10-8-17)24(31)26-19-11-13-28(14-12-19)25(32)18-5-4-6-20(29)15-18/h4-10,15-16,19,22,29H,11-14H2,1-3H3,(H,26,31)(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 453.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 51954783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).