N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

C17H27N5O — CID 138050837

IUPACN-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(Nc2cnccn2)CC1)C1CCNCC1
InChIInChI=1S/C17H27N5O/c1-22(15-6-8-18-9-7-15)17(23)13-2-4-14(5-3-13)21-16-12-19-10-11-20-16/h10-15,18H,2-9H2,1H3,(H,20,21)
InChIKeyKJFBHEQSJYBZEL-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 138050837) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID138050837
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(Nc2cnccn2)CC1)C1CCNCC1
InChIInChI=1S/C17H27N5O/c1-22(15-6-8-18-9-7-15)17(23)13-2-4-14(5-3-13)21-16-12-19-10-11-20-16/h10-15,18H,2-9H2,1H3,(H,20,21)
InChIKeyKJFBHEQSJYBZEL-UHFFFAOYSA-N
XLogP1.66
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (CID 138050837) is N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is CN(C(=O)C1CCC(Nc2cnccn2)CC1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is KJFBHEQSJYBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-22(15-6-8-18-9-7-15)17(23)13-2-4-14(5-3-13)21-16-12-19-10-11-20-16/h10-15,18H,2-9H2,1H3,(H,20,21).
What are the key properties of N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 138050837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).