[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid

C21H26N4O5 — CID 170161914

IUPAC[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
SMILESCNC(=O)C(CC1CCN(C(=O)Cc2ccc3[nH]c(=O)ccc3c2)CC1)NC(=O)O
InChIInChI=1S/C21H26N4O5/c1-22-20(28)17(24-21(29)30)11-13-6-8-25(9-7-13)19(27)12-14-2-4-16-15(10-14)3-5-18(26)23-16/h2-5,10,13,17,24H,6-9,11-12H2,1H3,(H,22,28)(H,23,26)(H,29,30)
InChIKeyKDGVKQPBPSPPHS-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.08
Rot. Bonds6

About [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid

[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid (PubChem CID 170161914) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
PubChem CID170161914
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid
SMILESCNC(=O)C(CC1CCN(C(=O)Cc2ccc3[nH]c(=O)ccc3c2)CC1)NC(=O)O
InChIInChI=1S/C21H26N4O5/c1-22-20(28)17(24-21(29)30)11-13-6-8-25(9-7-13)19(27)12-14-2-4-16-15(10-14)3-5-18(26)23-16/h2-5,10,13,17,24H,6-9,11-12H2,1H3,(H,22,28)(H,23,26)(H,29,30)
InChIKeyKDGVKQPBPSPPHS-UHFFFAOYSA-N
XLogP1.08
TPSA131.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 118636174
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
6-[[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]methyl]-1H-quinolin-2-one
CID 129223143
5-(2,4-dimethylphenyl)-N-[(2S)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]pyridine-2-carboxamide
CID 169234318
N-[2-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]ethyl]quinoline-2-carboxamide
CID 169234313
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167895937
N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22576560
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid?
The IUPAC name of [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid (CID 170161914) is [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid is CNC(=O)C(CC1CCN(C(=O)Cc2ccc3[nH]c(=O)ccc3c2)CC1)NC(=O)O.
What is the InChIKey of [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid?
The InChIKey is KDGVKQPBPSPPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-22-20(28)17(24-21(29)30)11-13-6-8-25(9-7-13)19(27)12-14-2-4-16-15(10-14)3-5-18(26)23-16/h2-5,10,13,17,24H,6-9,11-12H2,1H3,(H,22,28)(H,23,26)(H,29,30).
What are the key properties of [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid?
[1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid has a molecular weight of 414.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-1-oxo-3-[1-[2-(2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 170161914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).