N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide

C24H30N4O2 — CID 1026457

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)C2CC2)cn1
InChIInChI=1S/C24H30N4O2/c1-18-16-26-22(17-25-18)24(30)28(21-7-8-21)14-11-23(29)27-12-9-20(10-13-27)15-19-5-3-2-4-6-19/h2-6,16-17,20-21H,7-15H2,1H3
InChIKeySFZPRNPKLSWLMP-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.26
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide (PubChem CID 1026457) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
PubChem CID1026457
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)C2CC2)cn1
InChIInChI=1S/C24H30N4O2/c1-18-16-26-22(17-25-18)24(30)28(21-7-8-21)14-11-23(29)27-12-9-20(10-13-27)15-19-5-3-2-4-6-19/h2-6,16-17,20-21H,7-15H2,1H3
InChIKeySFZPRNPKLSWLMP-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026459
N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026464
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783089
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120225
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 5054791

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide (CID 1026457) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)C2CC2)cn1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
The InChIKey is SFZPRNPKLSWLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-16-26-22(17-25-18)24(30)28(21-7-8-21)14-11-23(29)27-12-9-20(10-13-27)15-19-5-3-2-4-6-19/h2-6,16-17,20-21H,7-15H2,1H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1026457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).