N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide

C21H32N4O2 — CID 26400411

IUPACN-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)Cc3ccncc3)CC2)CC1
InChIInChI=1S/C21H32N4O2/c1-16(2)23-21(27)18-5-11-24(12-6-18)19-7-13-25(14-8-19)20(26)15-17-3-9-22-10-4-17/h3-4,9-10,16,18-19H,5-8,11-15H2,1-2H3,(H,23,27)
InChIKeyJLNGJQAWGSWIAW-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.85
Rot. Bonds5

About N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide

N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 26400411) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID26400411
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)Cc3ccncc3)CC2)CC1
InChIInChI=1S/C21H32N4O2/c1-16(2)23-21(27)18-5-11-24(12-6-18)19-7-13-25(14-8-19)20(26)15-17-3-9-22-10-4-17/h3-4,9-10,16,18-19H,5-8,11-15H2,1-2H3,(H,23,27)
InChIKeyJLNGJQAWGSWIAW-UHFFFAOYSA-N
XLogP1.85
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide (CID 26400411) is N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(C(=O)Cc3ccncc3)CC2)CC1.
What is the InChIKey of N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is JLNGJQAWGSWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)23-21(27)18-5-11-24(12-6-18)19-7-13-25(14-8-19)20(26)15-17-3-9-22-10-4-17/h3-4,9-10,16,18-19H,5-8,11-15H2,1-2H3,(H,23,27).
What are the key properties of N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26400411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).