(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide

C20H26N4O3 — CID 97285326

IUPAC(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2ccc3ncccc3c2=O)C1
InChIInChI=1S/C20H26N4O3/c1-3-22(4-2)19(26)15-7-6-11-23(13-15)18(25)14-24-12-9-17-16(20(24)27)8-5-10-21-17/h5,8-10,12,15H,3-4,6-7,11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyZCZFSAUVZIMFNX-HNNXBMFYSA-N
MW370.45 g/mol
LogP1.50
Rot. Bonds5

About (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide

(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide (PubChem CID 97285326) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
PubChem CID97285326
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2ccc3ncccc3c2=O)C1
InChIInChI=1S/C20H26N4O3/c1-3-22(4-2)19(26)15-7-6-11-23(13-15)18(25)14-24-12-9-17-16(20(24)27)8-5-10-21-17/h5,8-10,12,15H,3-4,6-7,11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyZCZFSAUVZIMFNX-HNNXBMFYSA-N
XLogP1.50
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-(cyclohexylmethyl)-2-(5-oxo-1,6-naphthyridin-6-yl)acetamide
CID 72861872
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 124697529
3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide
CID 4297016
ethyl (3S)-1-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate
CID 30025892
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 97278686
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
CID 39011474

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide (CID 97285326) is (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2ccc3ncccc3c2=O)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is ZCZFSAUVZIMFNX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-22(4-2)19(26)15-7-6-11-23(13-15)18(25)14-24-12-9-17-16(20(24)27)8-5-10-21-17/h5,8-10,12,15H,3-4,6-7,11,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 97285326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).