N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide

C23H29N5O3 — CID 75551253

IUPACN-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(C(=O)C2CC(c3ccccn3)NN2)CC1
InChIInChI=1S/C23H29N5O3/c1-31-21-8-3-2-6-17(21)15-25-22(29)16-9-12-28(13-10-16)23(30)20-14-19(26-27-20)18-7-4-5-11-24-18/h2-8,11,16,19-20,26-27H,9-10,12-15H2,1H3,(H,25,29)
InChIKeyOWDLFMXRESUAOI-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.55
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 75551253) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID75551253
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(C(=O)C2CC(c3ccccn3)NN2)CC1
InChIInChI=1S/C23H29N5O3/c1-31-21-8-3-2-6-17(21)15-25-22(29)16-9-12-28(13-10-16)23(30)20-14-19(26-27-20)18-7-4-5-11-24-18/h2-8,11,16,19-20,26-27H,9-10,12-15H2,1H3,(H,25,29)
InChIKeyOWDLFMXRESUAOI-UHFFFAOYSA-N
XLogP1.55
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551254
N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551296
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
N-[(2-methoxyphenyl)methyl]-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 52995155
N-(3-fluoro-4-methylphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551287
N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551292
N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75188110
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide (CID 75551253) is N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(C(=O)C2CC(c3ccccn3)NN2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is OWDLFMXRESUAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-31-21-8-3-2-6-17(21)15-25-22(29)16-9-12-28(13-10-16)23(30)20-14-19(26-27-20)18-7-4-5-11-24-18/h2-8,11,16,19-20,26-27H,9-10,12-15H2,1H3,(H,25,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 75551253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).