5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

C22H29N5O4S — CID 6489668

IUPAC5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cn1
InChIInChI=1S/C22H29N5O4S/c1-17-14-24-21(16-23-17)22(28)25-15-18-6-8-26(9-7-18)19-2-4-20(5-3-19)32(29,30)27-10-12-31-13-11-27/h2-5,14,16,18H,6-13,15H2,1H3,(H,25,28)
InChIKeyNILGESXEHXEIBA-UHFFFAOYSA-N
MW459.57 g/mol
LogP1.45
Rot. Bonds6

About 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 6489668) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID6489668
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC Name5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cn1
InChIInChI=1S/C22H29N5O4S/c1-17-14-24-21(16-23-17)22(28)25-15-18-6-8-26(9-7-18)19-2-4-20(5-3-19)32(29,30)27-10-12-31-13-11-27/h2-5,14,16,18H,6-13,15H2,1H3,(H,25,28)
InChIKeyNILGESXEHXEIBA-UHFFFAOYSA-N
XLogP1.45
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 126470422
2-methyl-5-morpholin-4-ylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652342
N-cyclopropyl-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 651633
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26234954
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 165425887
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109183423
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide (CID 6489668) is 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cn1.
What is the InChIKey of 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is NILGESXEHXEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-17-14-24-21(16-23-17)22(28)25-15-18-6-8-26(9-7-18)19-2-4-20(5-3-19)32(29,30)27-10-12-31-13-11-27/h2-5,14,16,18H,6-13,15H2,1H3,(H,25,28).
What are the key properties of 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6489668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).