N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H26N4O3 — CID 24817708

IUPACN-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOC(C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-28-19(15-5-3-2-4-6-15)21(27)24-13-10-17(11-14-24)25-18(9-12-22-25)23-20(26)16-7-8-16/h2-6,9,12,16-17,19H,7-8,10-11,13-14H2,1H3,(H,23,26)
InChIKeyFNVYXTUCXHNOEC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24817708) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24817708
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOC(C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-28-19(15-5-3-2-4-6-15)21(27)24-13-10-17(11-14-24)25-18(9-12-22-25)23-20(26)16-7-8-16/h2-6,9,12,16-17,19H,7-8,10-11,13-14H2,1H3,(H,23,26)
InChIKeyFNVYXTUCXHNOEC-UHFFFAOYSA-N
XLogP2.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24817708) is N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COC(C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is FNVYXTUCXHNOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19(15-5-3-2-4-6-15)21(27)24-13-10-17(11-14-24)25-18(9-12-22-25)23-20(26)16-7-8-16/h2-6,9,12,16-17,19H,7-8,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24817708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).