1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide

C22H29N5O — CID 52989870

IUPAC1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide
SMILESCC1C(NC(=O)C2CCCN(Cc3ccccc3)C2)NNC1c1ccncc1
InChIInChI=1S/C22H29N5O/c1-16-20(18-9-11-23-12-10-18)25-26-21(16)24-22(28)19-8-5-13-27(15-19)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,19-21,25-26H,5,8,13-15H2,1H3,(H,24,28)
InChIKeyDPWWPLOKOSWUEH-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.22
Rot. Bonds5

About 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide

1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide (PubChem CID 52989870) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide
PubChem CID52989870
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide
SMILESCC1C(NC(=O)C2CCCN(Cc3ccccc3)C2)NNC1c1ccncc1
InChIInChI=1S/C22H29N5O/c1-16-20(18-9-11-23-12-10-18)25-26-21(16)24-22(28)19-8-5-13-27(15-19)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,19-21,25-26H,5,8,13-15H2,1H3,(H,24,28)
InChIKeyDPWWPLOKOSWUEH-UHFFFAOYSA-N
XLogP2.22
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide (CID 52989870) is 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide is CC1C(NC(=O)C2CCCN(Cc3ccccc3)C2)NNC1c1ccncc1.
What is the InChIKey of 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide?
The InChIKey is DPWWPLOKOSWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-20(18-9-11-23-12-10-18)25-26-21(16)24-22(28)19-8-5-13-27(15-19)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,16,19-21,25-26H,5,8,13-15H2,1H3,(H,24,28).
What are the key properties of 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide?
1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methyl-5-pyridin-4-ylpyrazolidin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52989870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).