N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide

C16H24N4O — CID 3231148

IUPACN-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(=O)NCC3CC3)CC2)n1
InChIInChI=1S/C16H24N4O/c1-11-9-17-12(2)15(19-11)20-7-5-14(6-8-20)16(21)18-10-13-3-4-13/h9,13-14H,3-8,10H2,1-2H3,(H,18,21)
InChIKeyPONCDMGDQRHXOW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.84
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 3231148) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
PubChem CID3231148
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(=O)NCC3CC3)CC2)n1
InChIInChI=1S/C16H24N4O/c1-11-9-17-12(2)15(19-11)20-7-5-14(6-8-20)16(21)18-10-13-3-4-13/h9,13-14H,3-8,10H2,1-2H3,(H,18,21)
InChIKeyPONCDMGDQRHXOW-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide (CID 3231148) is N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide is Cc1cnc(C)c(N2CCC(C(=O)NCC3CC3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is PONCDMGDQRHXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-9-17-12(2)15(19-11)20-7-5-14(6-8-20)16(21)18-10-13-3-4-13/h9,13-14H,3-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3231148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).