N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide

C22H29N5O2 — CID 4068337

IUPACN-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCCN1CCCCC1
InChIInChI=1S/C22H29N5O2/c28-21(25-12-16-26-13-5-2-6-14-26)9-15-27(18-19-7-3-1-4-8-19)22(29)20-17-23-10-11-24-20/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,(H,25,28)
InChIKeyKNLIUYTZMULJFW-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.11
Rot. Bonds9

About N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide

N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 4068337) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
PubChem CID4068337
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCCN1CCCCC1
InChIInChI=1S/C22H29N5O2/c28-21(25-12-16-26-13-5-2-6-14-26)9-15-27(18-19-7-3-1-4-8-19)22(29)20-17-23-10-11-24-20/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,(H,25,28)
InChIKeyKNLIUYTZMULJFW-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide (CID 4068337) is N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide is O=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCCN1CCCCC1.
What is the InChIKey of N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is KNLIUYTZMULJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(25-12-16-26-13-5-2-6-14-26)9-15-27(18-19-7-3-1-4-8-19)22(29)20-17-23-10-11-24-20/h1,3-4,7-8,10-11,17H,2,5-6,9,12-16,18H2,(H,25,28).
What are the key properties of N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide?
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4068337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).