N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

C22H27N5O3 — CID 75551266

IUPACN-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)c1
InChIInChI=1S/C22H27N5O3/c1-30-17-8-4-7-16(12-17)24-21(28)15-6-5-11-27(14-15)22(29)20-13-19(25-26-20)18-9-2-3-10-23-18/h2-4,7-10,12,15,19-20,25-26H,5-6,11,13-14H2,1H3,(H,24,28)
InChIKeyHXPZZJKQWUEPRI-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.88
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 75551266) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID75551266
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)c1
InChIInChI=1S/C22H27N5O3/c1-30-17-8-4-7-16(12-17)24-21(28)15-6-5-11-27(14-15)22(29)20-13-19(25-26-20)18-9-2-3-10-23-18/h2-4,7-10,12,15,19-20,25-26H,5-6,11,13-14H2,1H3,(H,24,28)
InChIKeyHXPZZJKQWUEPRI-UHFFFAOYSA-N
XLogP1.88
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-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

ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 75551257
N-[(3-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551254
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
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
N-(3-fluoro-4-methylphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551287
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
N-(2-methoxy-5-methylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551381
N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47045194
N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551387
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (CID 75551266) is N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is COc1cccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is HXPZZJKQWUEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-30-17-8-4-7-16(12-17)24-21(28)15-6-5-11-27(14-15)22(29)20-13-19(25-26-20)18-9-2-3-10-23-18/h2-4,7-10,12,15,19-20,25-26H,5-6,11,13-14H2,1H3,(H,24,28).
What are the key properties of N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75551266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).