N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide

C26H32FN3O4 — CID 93197439

IUPACN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)19-7-9-22(34-3)10-8-19)18-11-13-30(14-12-18)26(33)20-5-4-6-21(27)15-20/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKeyGEMJXSQSPJJWET-QHCPKHFHSA-N
MW469.56 g/mol
LogP3.26
Rot. Bonds8

About N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide

N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 93197439) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID93197439
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC NameN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)19-7-9-22(34-3)10-8-19)18-11-13-30(14-12-18)26(33)20-5-4-6-21(27)15-20/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKeyGEMJXSQSPJJWET-QHCPKHFHSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methoxybenzamide
CID 46019563
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019486
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197437
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198154
2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197204
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019114
4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93197423
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020666
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196660

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide (CID 93197439) is N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is GEMJXSQSPJJWET-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)19-7-9-22(34-3)10-8-19)18-11-13-30(14-12-18)26(33)20-5-4-6-21(27)15-20/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide?
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 469.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 93197439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).