N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide

C21H25N5O3 — CID 1031586

IUPACN-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2cnccn2)CC1
InChIInChI=1S/C21H25N5O3/c22-20(28)17-6-11-25(12-7-17)19(27)8-13-26(15-16-4-2-1-3-5-16)21(29)18-14-23-9-10-24-18/h1-5,9-10,14,17H,6-8,11-13,15H2,(H2,22,28)
InChIKeyWCEJKFNJIVKXGF-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.23
Rot. Bonds7

About N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide

N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 1031586) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID1031586
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2cnccn2)CC1
InChIInChI=1S/C21H25N5O3/c22-20(28)17-6-11-25(12-7-17)19(27)8-13-26(15-16-4-2-1-3-5-16)21(29)18-14-23-9-10-24-18/h1-5,9-10,14,17H,6-8,11-13,15H2,(H2,22,28)
InChIKeyWCEJKFNJIVKXGF-UHFFFAOYSA-N
XLogP1.23
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
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-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide
CID 4641976
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide (CID 1031586) is N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide is NC(=O)C1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2cnccn2)CC1.
What is the InChIKey of N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is WCEJKFNJIVKXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c22-20(28)17-6-11-25(12-7-17)19(27)8-13-26(15-16-4-2-1-3-5-16)21(29)18-14-23-9-10-24-18/h1-5,9-10,14,17H,6-8,11-13,15H2,(H2,22,28).
What are the key properties of N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide?
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1031586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).