N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide

C24H24N4O2 — CID 71786603

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H24N4O2/c29-24(27-15-17-9-13-28(14-10-17)22-16-25-11-12-26-22)23-18-5-1-3-7-20(18)30-21-8-4-2-6-19(21)23/h1-8,11-12,16-17,23H,9-10,13-15H2,(H,27,29)
InChIKeyVTLDMDRWFYGTIV-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.75
Rot. Bonds4

About N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 71786603) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide
PubChem CID71786603
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H24N4O2/c29-24(27-15-17-9-13-28(14-10-17)22-16-25-11-12-26-22)23-18-5-1-3-7-20(18)30-21-8-4-2-6-19(21)23/h1-8,11-12,16-17,23H,9-10,13-15H2,(H,27,29)
InChIKeyVTLDMDRWFYGTIV-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
5-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121109096
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107848
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107855
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide (CID 71786603) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide is O=C(NCC1CCN(c2cnccn2)CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is VTLDMDRWFYGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-24(27-15-17-9-13-28(14-10-17)22-16-25-11-12-26-22)23-18-5-1-3-7-20(18)30-21-8-4-2-6-19(21)23/h1-8,11-12,16-17,23H,9-10,13-15H2,(H,27,29).
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71786603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).