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

C23H29N5O2 — CID 75551296

IUPACN-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3CC(c4ccccn4)NN3)CC2)cc1
InChIInChI=1S/C23H29N5O2/c1-16-5-7-17(8-6-16)15-25-22(29)18-9-12-28(13-10-18)23(30)21-14-20(26-27-21)19-4-2-3-11-24-19/h2-8,11,18,20-21,26-27H,9-10,12-15H2,1H3,(H,25,29)
InChIKeyQFRLUJXVEARMFU-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.85
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 75551296) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID75551296
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3CC(c4ccccn4)NN3)CC2)cc1
InChIInChI=1S/C23H29N5O2/c1-16-5-7-17(8-6-16)15-25-22(29)18-9-12-28(13-10-18)23(30)21-14-20(26-27-21)19-4-2-3-11-24-19/h2-8,11,18,20-21,26-27H,9-10,12-15H2,1H3,(H,25,29)
InChIKeyQFRLUJXVEARMFU-UHFFFAOYSA-N
XLogP1.85
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551254
N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551253
N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551292
N-(3-fluoro-4-methylphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551287
N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75188110
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 75551257
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide (CID 75551296) is N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)C3CC(c4ccccn4)NN3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is QFRLUJXVEARMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-5-7-17(8-6-16)15-25-22(29)18-9-12-28(13-10-18)23(30)21-14-20(26-27-21)19-4-2-3-11-24-19/h2-8,11,18,20-21,26-27H,9-10,12-15H2,1H3,(H,25,29).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 75551296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).