N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide

C30H37N5O2 — CID 66689140

IUPACN-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCCCC2)c1=O
InChIInChI=1S/C30H37N5O2/c1-21-11-12-24(29(36)32-25-13-14-25)19-26(21)35-18-15-31-28(30(35)37)33-27(23-9-5-3-6-10-23)22(2)20-34-16-7-4-8-17-34/h3,5-6,9-12,15,18-19,22,25,27H,4,7-8,13-14,16-17,20H2,1-2H3,(H,31,33)(H,32,36)/t22-,27+/m0/s1
InChIKeyZHDPCEDWVBEHRX-WXVAWEFUSA-N
MW499.66 g/mol
LogP4.71
Rot. Bonds9

About N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide

N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide (PubChem CID 66689140) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
PubChem CID66689140
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC NameN-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCCCC2)c1=O
InChIInChI=1S/C30H37N5O2/c1-21-11-12-24(29(36)32-25-13-14-25)19-26(21)35-18-15-31-28(30(35)37)33-27(23-9-5-3-6-10-23)22(2)20-34-16-7-4-8-17-34/h3,5-6,9-12,15,18-19,22,25,27H,4,7-8,13-14,16-17,20H2,1-2H3,(H,31,33)(H,32,36)/t22-,27+/m0/s1
InChIKeyZHDPCEDWVBEHRX-WXVAWEFUSA-N
XLogP4.71
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide (CID 66689140) is N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(N[C@@H](c2ccccc2)[C@@H](C)CN2CCCCC2)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
The InChIKey is ZHDPCEDWVBEHRX-WXVAWEFUSA-N. The full InChI is InChI=1S/C30H37N5O2/c1-21-11-12-24(29(36)32-25-13-14-25)19-26(21)35-18-15-31-28(30(35)37)33-27(23-9-5-3-6-10-23)22(2)20-34-16-7-4-8-17-34/h3,5-6,9-12,15,18-19,22,25,27H,4,7-8,13-14,16-17,20H2,1-2H3,(H,31,33)(H,32,36)/t22-,27+/m0/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide?
N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide has a molecular weight of 499.66 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-[[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]amino]-2-oxopyrazin-1-yl]benzamide is sourced from PubChem (CID 66689140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).