1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H25N5O — CID 133421983

IUPAC1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1nc2ccccc2nc1N1CCC(N2CCCC2C(N)=O)CC1
InChIInChI=1S/C19H25N5O/c1-13-19(22-16-6-3-2-5-15(16)21-13)23-11-8-14(9-12-23)24-10-4-7-17(24)18(20)25/h2-3,5-6,14,17H,4,7-12H2,1H3,(H2,20,25)
InChIKeyZTRHMXDIYBEKQP-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 133421983) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID133421983
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1nc2ccccc2nc1N1CCC(N2CCCC2C(N)=O)CC1
InChIInChI=1S/C19H25N5O/c1-13-19(22-16-6-3-2-5-15(16)21-13)23-11-8-14(9-12-23)24-10-4-7-17(24)18(20)25/h2-3,5-6,14,17H,4,7-12H2,1H3,(H2,20,25)
InChIKeyZTRHMXDIYBEKQP-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421994
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899358
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
4-(3-methylquinoxalin-2-yl)morpholine-2-carboxamide
CID 49432754
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl (2S)-1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylate
CID 136589227
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398
1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422009
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 133421983) is 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is Cc1nc2ccccc2nc1N1CCC(N2CCCC2C(N)=O)CC1.
What is the InChIKey of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZTRHMXDIYBEKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-19(22-16-6-3-2-5-15(16)21-13)23-11-8-14(9-12-23)24-10-4-7-17(24)18(20)25/h2-3,5-6,14,17H,4,7-12H2,1H3,(H2,20,25).
What are the key properties of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 133421983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).