N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide

C21H33N5O4 — CID 53011406

IUPACN,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2nn(C)c3c2CN(C(=O)COC)CC3)C1
InChIInChI=1S/C21H33N5O4/c1-5-24(6-2)20(28)15-8-7-10-26(12-15)21(29)19-16-13-25(18(27)14-30-4)11-9-17(16)23(3)22-19/h15H,5-14H2,1-4H3
InChIKeyCVSRHJQCGACGBP-UHFFFAOYSA-N
MW419.53 g/mol
LogP0.67
Rot. Bonds6

About N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide

N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 53011406) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
PubChem CID53011406
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC NameN,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2nn(C)c3c2CN(C(=O)COC)CC3)C1
InChIInChI=1S/C21H33N5O4/c1-5-24(6-2)20(28)15-8-7-10-26(12-15)21(29)19-16-13-25(18(27)14-30-4)11-9-17(16)23(3)22-19/h15H,5-14H2,1-4H3
InChIKeyCVSRHJQCGACGBP-UHFFFAOYSA-N
XLogP0.67
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
(3S)-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93071525
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95052842
N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017976
(3R)-1-(1-methyl-5-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95052953
(3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 95052903
[1-[5-(2-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 53018165
[(3S)-1-[5-(2-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95052860
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
(3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95052948
1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 53018193

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (CID 53011406) is N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2nn(C)c3c2CN(C(=O)COC)CC3)C1.
What is the InChIKey of N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is CVSRHJQCGACGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4/c1-5-24(6-2)20(28)15-8-7-10-26(12-15)21(29)19-16-13-25(18(27)14-30-4)11-9-17(16)23(3)22-19/h15H,5-14H2,1-4H3.
What are the key properties of N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide?
N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 53011406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).