1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

C19H27N5O — CID 110258313

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(CCCc3ccccn3)(C(N)=O)C2)cn1
InChIInChI=1S/C19H27N5O/c1-23-13-16(12-22-23)14-24-11-5-9-19(15-24,18(20)25)8-4-7-17-6-2-3-10-21-17/h2-3,6,10,12-13H,4-5,7-9,11,14-15H2,1H3,(H2,20,25)
InChIKeyBPMVDXOAAFCZGR-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.91
Rot. Bonds7

About 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 110258313) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
PubChem CID110258313
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(CCCc3ccccn3)(C(N)=O)C2)cn1
InChIInChI=1S/C19H27N5O/c1-23-13-16(12-22-23)14-24-11-5-9-19(15-24,18(20)25)8-4-7-17-6-2-3-10-21-17/h2-3,6,10,12-13H,4-5,7-9,11,14-15H2,1H3,(H2,20,25)
InChIKeyBPMVDXOAAFCZGR-UHFFFAOYSA-N
XLogP1.91
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (CID 110258313) is 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is Cn1cc(CN2CCCC(CCCc3ccccn3)(C(N)=O)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is BPMVDXOAAFCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-13-16(12-22-23)14-24-11-5-9-19(15-24,18(20)25)8-4-7-17-6-2-3-10-21-17/h2-3,6,10,12-13H,4-5,7-9,11,14-15H2,1H3,(H2,20,25).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 110258313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).