4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide

C20H27ClN4O3 — CID 91643302

IUPAC4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide
SMILESCC1(C)C(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C2CCOC21
InChIInChI=1S/C20H27ClN4O3/c1-20(2)16(14-7-10-28-17(14)20)24-19(27)25-8-5-12(6-9-25)18(26)23-15-4-3-13(21)11-22-15/h3-4,11-12,14,16-17H,5-10H2,1-2H3,(H,24,27)(H,22,23,26)
InChIKeyNKYGDCHEYRWFFU-UHFFFAOYSA-N
MW406.91 g/mol
LogP2.91
Rot. Bonds3

About 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide

4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide (PubChem CID 91643302) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide
PubChem CID91643302
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC Name4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide
SMILESCC1(C)C(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C2CCOC21
InChIInChI=1S/C20H27ClN4O3/c1-20(2)16(14-7-10-28-17(14)20)24-19(27)25-8-5-12(6-9-25)18(26)23-15-4-3-13(21)11-22-15/h3-4,11-12,14,16-17H,5-10H2,1-2H3,(H,24,27)(H,22,23,26)
InChIKeyNKYGDCHEYRWFFU-UHFFFAOYSA-N
XLogP2.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
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CID 47065712
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78903847
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide (CID 91643302) is 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide is CC1(C)C(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C2CCOC21.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide?
The InChIKey is NKYGDCHEYRWFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O3/c1-20(2)16(14-7-10-28-17(14)20)24-19(27)25-8-5-12(6-9-25)18(26)23-15-4-3-13(21)11-22-15/h3-4,11-12,14,16-17H,5-10H2,1-2H3,(H,24,27)(H,22,23,26).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide?
4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide has a molecular weight of 406.91 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 91643302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).