1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C23H33N5O — CID 45223018

IUPAC1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1
InChIInChI=1S/C23H33N5O/c1-26-16-20(15-25-26)14-24-23(29)21-8-5-11-28(18-21)22-9-12-27(13-10-22)17-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29)
InChIKeyIFZLANOOVAXWOG-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.41
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 45223018) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID45223018
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1
InChIInChI=1S/C23H33N5O/c1-26-16-20(15-25-26)14-24-23(29)21-8-5-11-28(18-21)22-9-12-27(13-10-22)17-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29)
InChIKeyIFZLANOOVAXWOG-UHFFFAOYSA-N
XLogP2.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 45223018) is 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cn1cc(CNC(=O)C2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is IFZLANOOVAXWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-26-16-20(15-25-26)14-24-23(29)21-8-5-11-28(18-21)22-9-12-27(13-10-22)17-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45223018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).