N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide

C21H35N5O2 — CID 69354025

IUPACN-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1
InChIInChI=1S/C21H35N5O2/c1-15(2)24-21(27)19-13-23-20(14-22-19)26-11-7-18(8-12-26)28-17-5-9-25(10-6-17)16(3)4/h13-18H,5-12H2,1-4H3,(H,24,27)
InChIKeyPIVFUODYKBDZEU-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.47
Rot. Bonds6

About N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide

N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 69354025) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide
PubChem CID69354025
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1
InChIInChI=1S/C21H35N5O2/c1-15(2)24-21(27)19-13-23-20(14-22-19)26-11-7-18(8-12-26)28-17-5-9-25(10-6-17)16(3)4/h13-18H,5-12H2,1-4H3,(H,24,27)
InChIKeyPIVFUODYKBDZEU-UHFFFAOYSA-N
XLogP2.47
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbonyl chloride
CID 87796411
5-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271173
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555
1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
CID 58747945
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109273181
N-cyclohexyl-5-(4-formylpiperidin-1-yl)pyrazine-2-carboxamide
CID 167041254
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide (CID 69354025) is N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide is CC(C)NC(=O)c1cnc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1.
What is the InChIKey of N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is PIVFUODYKBDZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-15(2)24-21(27)19-13-23-20(14-22-19)26-11-7-18(8-12-26)28-17-5-9-25(10-6-17)16(3)4/h13-18H,5-12H2,1-4H3,(H,24,27).
What are the key properties of N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide?
N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 69354025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).