N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide

C25H40N4O2 — CID 90434637

IUPACN-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide
SMILESCC(=O)N1c2ccc(N3CCC(NC(=O)CCC(C)(C)C)CC3)cc2[C@H](N)[C@@H](C)[C@@H]1C
InChIInChI=1S/C25H40N4O2/c1-16-17(2)29(18(3)30)22-8-7-20(15-21(22)24(16)26)28-13-10-19(11-14-28)27-23(31)9-12-25(4,5)6/h7-8,15-17,19,24H,9-14,26H2,1-6H3,(H,27,31)/t16-,17-,24+/m0/s1
InChIKeySIGGUPUFLRNILP-WOGXIUBCSA-N
MW428.62 g/mol
LogP3.99
Rot. Bonds4

About N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide

N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide (PubChem CID 90434637) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide
PubChem CID90434637
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC NameN-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide
SMILESCC(=O)N1c2ccc(N3CCC(NC(=O)CCC(C)(C)C)CC3)cc2[C@H](N)[C@@H](C)[C@@H]1C
InChIInChI=1S/C25H40N4O2/c1-16-17(2)29(18(3)30)22-8-7-20(15-21(22)24(16)26)28-13-10-19(11-14-28)27-23(31)9-12-25(4,5)6/h7-8,15-17,19,24H,9-14,26H2,1-6H3,(H,27,31)/t16-,17-,24+/m0/s1
InChIKeySIGGUPUFLRNILP-WOGXIUBCSA-N
XLogP3.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
CID 118673169
1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660148
tert-butyl N-[1-[(2S,4R)-1-acetyl-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
CID 163601887
N-[1-[(2S,3R)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-2-ethyl-3,3-dimethylbutanamide
CID 139325951
1-[(2S,3R)-6-(4-aminopiperidin-1-yl)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;aniline
CID 144701643
N-(3-aminocyclopentyl)-4,4-dimethylpentanamide
CID 115272907
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
tert-butyl 4-[3-[[(2S,3R,4R)-1-acetyl-6-carbamoyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperazine-1-carboxylate
CID 118660380
1-(4-amino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone
CID 123774733
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
CID 19086860
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide?
The IUPAC name of N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide (CID 90434637) is N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide is CC(=O)N1c2ccc(N3CCC(NC(=O)CCC(C)(C)C)CC3)cc2[C@H](N)[C@@H](C)[C@@H]1C.
What is the InChIKey of N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide?
The InChIKey is SIGGUPUFLRNILP-WOGXIUBCSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-16-17(2)29(18(3)30)22-8-7-20(15-21(22)24(16)26)28-13-10-19(11-14-28)27-23(31)9-12-25(4,5)6/h7-8,15-17,19,24H,9-14,26H2,1-6H3,(H,27,31)/t16-,17-,24+/m0/s1.
What are the key properties of N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide?
N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide has a molecular weight of 428.62 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 90434637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).